G4VJX2_SCHMA Loading...

Putative peripheral-type benzodiazepine receptor

AlphaFold DB , UniProt , Accession G4VJX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 159 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.7Low77.2Confident166 Ų16687.6 Ų87.682%0.81848%0.483SS*.  0117.40-161.2159.154.300105.9S5 L6M1-S5 VanDerWaalsContact CG-OG 3.25Å; M1-S5 WeakPolarHBondContact CG-OG 3.44Å; M1-L6 HydrophobicContact CE-CD2 3.33Å; M1-L6 HydrophobicContact CE-CG 3.9Å
2S66.5Low78.6Confident79 Ų7984 Ų8455%0.55246%0.459SS*.  trans-63.6153.8-177.456.10000110.7V4 S5 L6S2-V4 PolarHBondContact O-N 3.46Å; S2-V4 VanDerWaalsContact O-N 3.17Å; S2-S5 WeakPolarHBondContact O-CA 3.25Å; S2-S5 VanDerWaalsContact O-CB 3.31Å; S2-S5 WeakPolarHBondContact O-CB 3.31Å; S2-S5 PolarHBondContact O-N 3.28Å; S2-S5 PolarHBondContact OG-N 3.22Å; S2-L6 PolarHBondContact O-N 2.89Å
3E68.1Low79.7Confident164 Ų16482.6 Ų82.677%0.76645%0.449SS*.Hα-helixtrans-53.6-36176.1-66.7-176.4161.200111.9S5 L6 L7E3-S5 VanDerWaalsContact C-N 3.31Å; E3-S5 PolarHBondContact O-N 3.04Å; E3-L6 PolarHBondContact O-N 3.38Å; E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.17Å
4V69.7Low80.7Confident87 Ų8780.6 Ų80.653%0.52745%0.45SS..Hα-helixtrans-60.4-38174.6-177.80000112.1S2 H8S2-V4 PolarHBondContact O-N 3.46Å; S2-V4 VanDerWaalsContact O-N 3.17Å; V4-H8 PolarHBondContact O-N 3.48Å; V4-H8 VanDerWaalsContact O-N 3.15Å; V4-H8 PolarHBondContact O-ND1 3.19Å
5S76Confident81.7Confident14 Ų1480.4 Ų80.410%0.09845%0.447CS..Hα-helixtrans-68.7-37.7178.3178.20000111.7M1 S2 E3 A9 Y65M1-S5 VanDerWaalsContact CG-OG 3.25Å; M1-S5 WeakPolarHBondContact CG-OG 3.44Å; S2-S5 WeakPolarHBondContact O-CA 3.25Å; S2-S5 VanDerWaalsContact O-CB 3.31Å; S2-S5 WeakPolarHBondContact O-CB 3.31Å; S2-S5 PolarHBondContact O-N 3.28Å; S2-S5 PolarHBondContact OG-N 3.22Å; E3-S5 VanDerWaalsContact C-N 3.31Å; E3-S5 PolarHBondContact O-N 3.04Å; S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 2.71Å; S5-Y65 WeakPolarHBondContact CA-OH 3.39Å; S5-Y65 WeakPolarHBondContact CB-OH 3.47Å; S5-Y65 PolarHBondContact O-OH 3.18Å; S5-Y65 PolarHBondContact OG-OH 3.03Å
6L74Confident82.5Confident95 Ų9575.4 Ų75.450%0.49742%0.419SS..Hα-helixtrans-66.7-43.8175.5-79.2171.2000112.1M1 S2 E3 H8 A9 S10M1-L6 HydrophobicContact CE-CD2 3.33Å; M1-L6 HydrophobicContact CE-CG 3.9Å; S2-L6 PolarHBondContact O-N 2.89Å; E3-L6 PolarHBondContact O-N 3.38Å; L6-H8 VanDerWaalsContact C-N 3.34Å; L6-H8 PolarHBondContact O-N 3.06Å; L6-A9 PolarHBondContact O-N 2.77Å; L6-S10 PolarHBondContact O-N 3.44Å
7L81.1Confident83.3Confident120 Ų12075.3 Ų75.363%0.62841%0.413SS*.Hα-helixtrans-58.3-46.3176.8-73.2170.1000111.3E3 A9 S10 P11E3-L7 WeakPolarHBondContact O-CG 3.48Å; E3-L7 PolarHBondContact O-N 3.17Å; L7-A9 PolarHBondContact O-N 3.15Å; L7-S10 PolarHBondContact O-N 3.46Å; L7-S10 PolarHBondContact O-OG 3.11Å; L7-P11 WeakPolarHBondContact O-CD 3.38Å
8H85.9Confident84Confident93 Ų9375.3 Ų75.343%0.43142%0.416SS..Hα-helixtrans-68.3-30.5176.8-65.1152.2000113.8V4 L6 P11 F12 Y65 W68V4-H8 PolarHBondContact O-N 3.48Å; V4-H8 VanDerWaalsContact O-N 3.15Å; V4-H8 PolarHBondContact O-ND1 3.19Å; L6-H8 VanDerWaalsContact C-N 3.34Å; L6-H8 PolarHBondContact O-N 3.06Å; H8-P11 WeakPolarHBondContact O-CD 3.46Å; H8-P11 WeakPolarHBondContact O-CG 3.33Å; H8-F12 WeakPolarHBondContact O-CD2 3.37Å; H8-Y65 HydrophobicContact CB-CE2 3.83Å; H8-W68 HydrophobicContact CB-CH2 4.49Å; H8-W68 HydrophobicContact CB-CZ3 4.14Å
9A88.8Confident84.4Confident7 Ų771.9 Ų71.96%0.05840%0.4CS..Hα-helixtrans-74-30.4178.500000113.1S5 L6 L7 F12 I13 Y65S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 2.71Å; L6-A9 PolarHBondContact O-N 2.77Å; L7-A9 PolarHBondContact O-N 3.15Å; A9-F12 PolarHBondContact O-N 3.35Å; A9-F12 VanDerWaalsContact O-N 3.11Å; A9-I13 HydrophobicContact CB-CD1 4.22Å; A9-I13 WeakPolarHBondContact O-CG1 3.5Å; A9-I13 PolarHBondContact O-N 2.91Å; A9-Y65 VanDerWaalsContact CA-CD2 3.46Å; A9-Y65 HydrophobicContact CB-CD1 3.74Å; A9-Y65 HydrophobicContact CB-CD2 3.8Å; A9-Y65 HydrophobicContact CB-CE1 3.92Å; A9-Y65 HydrophobicContact CB-CE2 3.97Å; A9-Y65 HydrophobicContact CB-CG 3.67Å
10S90.1Very high84.7Confident65 Ų6570.1 Ų70.146%0.45540%0.395SS..Hα-helixtrans-52.5-47.5-175.168.90000115.3L6 L7 F12 I13 A14L6-S10 PolarHBondContact O-N 3.44Å; L7-S10 PolarHBondContact O-N 3.46Å; L7-S10 PolarHBondContact O-OG 3.11Å; S10-F12 PolarHBondContact O-N 3.35Å; S10-I13 PolarHBondContact O-N 3.43Å; S10-A14 WeakPolarHBondContact O-CB 3.42Å; S10-A14 PolarHBondContact O-N 2.99Å
11P92.3Very high85.1Confident74 Ų7473.9 Ų73.948%0.48141%0.407SS..Hα-helixtrans-64.9-36.4177.325.2-36.1000113L7 H8 A14 L15L7-P11 WeakPolarHBondContact O-CD 3.38Å; H8-P11 WeakPolarHBondContact O-CD 3.46Å; H8-P11 WeakPolarHBondContact O-CG 3.33Å; P11-A14 PolarHBondContact O-N 3.26Å; P11-L15 VanDerWaalsContact O-CB 3.28Å; P11-L15 WeakPolarHBondContact O-CB 3.22Å; P11-L15 PolarHBondContact O-N 3.43Å
12F93.8Very high86.8Confident44 Ų4470.6 Ų70.619%0.19340%0.396CS..Hα-helixtrans-67-40178-69.2-95.5000111.6H8 A9 S10 P16 G61 Y65 W68H8-F12 WeakPolarHBondContact O-CD2 3.37Å; A9-F12 PolarHBondContact O-N 3.35Å; A9-F12 VanDerWaalsContact O-N 3.11Å; S10-F12 PolarHBondContact O-N 3.35Å; F12-P16 WeakPolarHBondContact O-CD 3.36Å; F12-G61 WeakPolarHBondContact CB-O 3.36Å; F12-G61 WeakPolarHBondContact O-CA 3.32Å; F12-Y65 HydrophobicContact CD2-CD2 4.09Å; F12-Y65 HydrophobicContact CE2-CD2 4.39Å; F12-W68 HydrophobicContact CE1-CB 3.72Å; F12-W68 AromaticContact CE1-CG 3.98Å; F12-W68 HydrophobicContact CE1-CG 3.98Å; F12-W68 HydrophobicContact CE2-CD2 4.11Å; F12-W68 HydrophobicContact CE2-CE3 4.21Å; F12-W68 HydrophobicContact CE2-CG 4.27Å; F12-W68 HydrophobicContact CZ-CB 3.66Å; F12-W68 AromaticContact CZ-CD1 3.83Å; F12-W68 AromaticContact CZ-CD2 3.71Å; F12-W68 HydrophobicContact CZ-CD2 3.71Å; F12-W68 HydrophobicContact CZ-CE3 4.23Å; F12-W68 AromaticContact CZ-CG 3.42Å; F12-W68 HydrophobicContact CZ-CG 3.42Å; F12-W68 VanDerWaalsContact CZ-CG 3.42Å
13I92.6Very high88.1Confident66 Ų6667 Ų6734%0.33837%0.372SS..Hα-helixtrans-69.8-40.8176.4-64.9171.3000111.2A9 S10 P16 F17A9-I13 HydrophobicContact CB-CD1 4.22Å; A9-I13 WeakPolarHBondContact O-CG1 3.5Å; A9-I13 PolarHBondContact O-N 2.91Å; S10-I13 PolarHBondContact O-N 3.43Å; I13-P16 WeakPolarHBondContact O-CD 3.38Å; I13-F17 HydrophobicContact CG2-CE2 4.48Å; I13-F17 WeakPolarHBondContact O-CD2 3.27Å; I13-F17 WeakPolarHBondContact O-CE2 3.28Å
14A94.5Very high89.3Confident55 Ų5564.8 Ų64.846%0.45536%0.362SS..Hα-helixtrans-71.2-33.7-179.100000113S10 P11 F17S10-A14 WeakPolarHBondContact O-CB 3.42Å; S10-A14 PolarHBondContact O-N 2.99Å; P11-A14 PolarHBondContact O-N 3.26Å; A14-F17 WeakPolarHBondContact O-CB 3.22Å; A14-F17 PolarHBondContact O-N 2.9Å; A14-F17 VanDerWaalsContact O-N 3.1Å
15L95.1Very high90.5Very high77 Ų7769.9 Ų69.940%0.40337%0.371SS..Hα-helixtrans-53.8-51.8-171.9179.868.9000112.7P11 F17 V18 L87 W91P11-L15 VanDerWaalsContact O-CB 3.28Å; P11-L15 WeakPolarHBondContact O-CB 3.22Å; P11-L15 PolarHBondContact O-N 3.43Å; L15-F17 PolarHBondContact O-N 2.98Å; L15-F17 VanDerWaalsContact O-N 3.15Å; L15-V18 WeakPolarHBondContact O-CB 3.35Å; L15-V18 WeakPolarHBondContact O-CG2 3.42Å; L15-V18 PolarHBondContact O-N 3.48Å; L15-L87 HydrophobicContact CD2-CD2 4.03Å; L15-L87 HydrophobicContact CG-CD2 3.93Å; L15-W91 HydrophobicContact CD1-CH2 3.88Å; L15-W91 HydrophobicContact CD1-CZ2 4.26Å; L15-W91 HydrophobicContact CG-CH2 4.4Å; L15-W91 HydrophobicContact CG-CZ2 4.38Å; L15-W91 VanDerWaalsContact O-CZ2 3.25Å; L15-W91 WeakPolarHBondContact O-CZ2 3.37Å
16P94.8Very high91.4Very high0 Ų071.4 Ų71.40%038%0.378CS..Hα-helixtrans-57.9-31.9-179.9-27.536.7000115.1F12 I13 V18 Y57 M60 Y83 L87 W91F12-P16 WeakPolarHBondContact O-CD 3.36Å; I13-P16 WeakPolarHBondContact O-CD 3.38Å; P16-V18 VanDerWaalsContact C-N 3.25Å; P16-V18 PolarHBondContact O-N 2.96Å; P16-Y57 HydrophobicContact CB-CD1 3.56Å; P16-Y57 HydrophobicContact CB-CE1 4.36Å; P16-Y57 HydrophobicContact CB-CG 3.87Å; P16-M60 HydrophobicContact CG-CB 4.39Å; P16-Y83 VanDerWaalsContact CG-OH 3.23Å; P16-Y83 WeakPolarHBondContact CG-OH 3.37Å; P16-L87 HydrophobicContact CB-CD1 4.09Å; P16-L87 HydrophobicContact CG-CD1 4.48Å; P16-L87 HydrophobicContact CG-CD2 4.38Å; P16-W91 PolarHBondContact O-NE1 2.92Å
17F96.1Very high92.4Very high74 Ų7468.7 Ų68.733%0.32537%0.365SS..Hα-helixtrans-70-19.6179.9-69.9-92.2000113.3I13 A14 L15 G19 A20 F21 S54 Y57I13-F17 HydrophobicContact CG2-CE2 4.48Å; I13-F17 WeakPolarHBondContact O-CD2 3.27Å; I13-F17 WeakPolarHBondContact O-CE2 3.28Å; A14-F17 WeakPolarHBondContact O-CB 3.22Å; A14-F17 PolarHBondContact O-N 2.9Å; A14-F17 VanDerWaalsContact O-N 3.1Å; L15-F17 PolarHBondContact O-N 2.98Å; L15-F17 VanDerWaalsContact O-N 3.15Å; F17-G19 PolarHBondContact O-N 3.39Å; F17-A20 WeakPolarHBondContact O-CB 3.48Å; F17-A20 PolarHBondContact O-N 3.46Å; F17-A20 VanDerWaalsContact O-N 3.15Å; F17-F21 WeakPolarHBondContact O-CB 3.45Å; F17-F21 PolarHBondContact O-N 3.42Å; F17-S54 WeakPolarHBondContact CZ-O 3.47Å; F17-Y57 HydrophobicContact CD1-CD2 4.31Å; F17-Y57 HydrophobicContact CE1-CD2 4.46Å
18V95.4Very high93Very high75 Ų7566.8 Ų66.846%0.45536%0.362SS..Hα-helixtrans-57.4-48.9180175.60000110.8L15 P16 A20 F21 V22 W91L15-V18 WeakPolarHBondContact O-CB 3.35Å; L15-V18 WeakPolarHBondContact O-CG2 3.42Å; L15-V18 PolarHBondContact O-N 3.48Å; P16-V18 VanDerWaalsContact C-N 3.25Å; P16-V18 PolarHBondContact O-N 2.96Å; V18-A20 VanDerWaalsContact C-N 3.33Å; V18-A20 PolarHBondContact O-N 3.02Å; V18-F21 PolarHBondContact O-N 2.86Å; V18-V22 WeakPolarHBondContact O-CG2 3.17Å; V18-V22 PolarHBondContact O-N 2.95Å; V18-W91 HydrophobicContact CB-CH2 4.36Å; V18-W91 HydrophobicContact CB-CZ2 4.13Å
19G91.2Very high93.4Very high12 Ų1270.8 Ų70.812%0.12438%0.378CS..Hα-helixtrans-67.5-32.917800000113.5F17 G23 W91F17-G19 PolarHBondContact O-N 3.39Å; G19-G23 WeakPolarHBondContact O-CA 3.14Å; G19-G23 PolarHBondContact O-N 3.3Å; G19-W91 VanDerWaalsContact CA-CD1 3.49Å
20A91.1Very high93.8Very high35 Ų3571.9 Ų71.929%0.28938%0.383SS..Hα-helixtrans-62.9-47174.500000111.3F17 V18 G23 Q24 Y57F17-A20 WeakPolarHBondContact O-CB 3.48Å; F17-A20 PolarHBondContact O-N 3.46Å; F17-A20 VanDerWaalsContact O-N 3.15Å; V18-A20 VanDerWaalsContact C-N 3.33Å; V18-A20 PolarHBondContact O-N 3.02Å; A20-G23 PolarHBondContact O-N 2.88Å; A20-Q24 WeakPolarHBondContact O-CB 3.37Å; A20-Q24 PolarHBondContact O-N 2.63Å; A20-Y57 HydrophobicContact CB-CD2 4.05Å; A20-Y57 HydrophobicContact CB-CE2 3.45Å; A20-Y57 VanDerWaalsContact CB-CE2 3.45Å
21F93.5Very high93.9Very high150 Ų15071.7 Ų71.766%0.65838%0.376SS*.Hα-helixtrans-63-44.9179-177.8-101.7000111.9F17 V18F17-F21 WeakPolarHBondContact O-CB 3.45Å; F17-F21 PolarHBondContact O-N 3.42Å; V18-F21 PolarHBondContact O-N 2.86Å
22V92.2Very high94.1Very high96 Ų9677.2 Ų77.258%0.58239%0.388SS*.Hα-helixtrans-66-43.2176.3174.10000111.1V18 Q24V18-V22 WeakPolarHBondContact O-CG2 3.17Å; V18-V22 PolarHBondContact O-N 2.95Å; V22-Q24 VanDerWaalsContact C-N 3.35Å; V22-Q24 PolarHBondContact O-N 3.45Å
23G93.5Very high94.2Very high5 Ų577.2 Ų77.25%0.05239%0.387CS..Hα-helixtrans-69.7-26.4-178.200000114.3G19 A20 R25 I26 V27G19-G23 WeakPolarHBondContact O-CA 3.14Å; G19-G23 PolarHBondContact O-N 3.3Å; A20-G23 PolarHBondContact O-N 2.88Å; G23-R25 VanDerWaalsContact C-N 3.28Å; G23-R25 PolarHBondContact O-N 3.07Å; G23-I26 WeakPolarHBondContact O-CA 3.12Å; G23-I26 WeakPolarHBondContact O-CB 3.36Å; G23-I26 PolarHBondContact O-N 3.04Å; G23-V27 PolarHBondContact O-N 2.77Å
24Q93.3Very high94.3Very high117 Ų11775 Ų7555%0.54737%0.374SS..Hα-helixtrans-54.5-42.5-176.3-176.9179.1-16.200112.5A20 V22 I26 V27 S28A20-Q24 WeakPolarHBondContact O-CB 3.37Å; A20-Q24 PolarHBondContact O-N 2.63Å; V22-Q24 VanDerWaalsContact C-N 3.35Å; V22-Q24 PolarHBondContact O-N 3.45Å; Q24-I26 VanDerWaalsContact C-N 3.29Å; Q24-I26 PolarHBondContact O-N 3.48Å; Q24-V27 PolarHBondContact O-N 3.39Å; Q24-S28 PolarHBondContact O-N 2.99Å; Q24-S28 PolarHBondContact O-OG 2.84Å; Q24-S28 VanDerWaalsContact O-OG 3.13Å
25R94.7Very high94.2Very high193 Ų19376.8 Ų76.873%0.72838%0.376SS*.Hα-helixtrans-63.4-35.5178-70.6-169.1178.4135.3-1.5112.8G23 K29G23-R25 VanDerWaalsContact C-N 3.28Å; G23-R25 PolarHBondContact O-N 3.07Å; R25-K29 WeakPolarHBondContact O-CG 3.34Å; R25-K29 PolarHBondContact O-N 3.29Å
26I95.2Very high94.2Very high47 Ų4777.2 Ų77.224%0.24138%0.382CS..Hα-helixtrans-68.2-45.9177.4-61.3170.3000109.3G23 Q24 K29 N30 T94 P95 F98G23-I26 WeakPolarHBondContact O-CA 3.12Å; G23-I26 WeakPolarHBondContact O-CB 3.36Å; G23-I26 PolarHBondContact O-N 3.04Å; Q24-I26 VanDerWaalsContact C-N 3.29Å; Q24-I26 PolarHBondContact O-N 3.48Å; I26-K29 PolarHBondContact O-N 3.42Å; I26-N30 WeakPolarHBondContact O-CB 3.25Å; I26-N30 PolarHBondContact O-N 3.42Å; I26-N30 PolarHBondContact O-ND2 3.43Å; I26-T94 HydrophobicContact CB-CG2 4.25Å; I26-T94 HydrophobicContact CG2-CG2 4.35Å; I26-P95 HydrophobicContact CD1-CB 3.97Å; I26-F98 HydrophobicContact CG2-CB 3.88Å
27V94.8Very high94.3Very high37 Ų3778.1 Ų78.122%0.22439%0.387CS..Hα-helixtrans-60.9-48.9178.4175.50000111.1G23 Q24 K29 N30 M31 T94 F98G23-V27 PolarHBondContact O-N 2.77Å; Q24-V27 PolarHBondContact O-N 3.39Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.47Å; V27-N30 CarbonylContact O-C 3.43Å; V27-N30 PolarHBondContact O-N 2.82Å; V27-N30 VanDerWaalsContact O-N 3.14Å; V27-M31 HydrophobicContact CG1-CE 3.55Å; V27-M31 PolarHBondContact O-N 2.98Å; V27-M31 VanDerWaalsContact O-N 3.11Å; V27-T94 HydrophobicContact CG2-CG2 3.61Å; V27-F98 HydrophobicContact CG1-CE1 4.32Å; V27-F98 HydrophobicContact CG1-CZ 4.31Å; V27-F98 HydrophobicContact CG2-CD2 3.96Å; V27-F98 HydrophobicContact CG2-CE2 4.16Å; V27-F98 HydrophobicContact CG2-CG 4.24Å
28S93.9Very high94.2Very high80 Ų8083.2 Ų83.256%0.55940%0.404SS*.Hα-helixtrans-59.4-41.6-179.4-62.20000112.7Q24 N30Q24-S28 PolarHBondContact O-N 2.99Å; Q24-S28 PolarHBondContact O-OG 2.84Å; Q24-S28 VanDerWaalsContact O-OG 3.13Å; S28-N30 VanDerWaalsContact C-N 3.31Å; S28-N30 PolarHBondContact O-N 3.01Å
29K95.2Very high94.1Very high178 Ų17882.5 Ų82.577%0.77440%0.395SS*.Hα-helixtrans-67.4-29.2177.8-75-177.5177.5-170.80113.5R25 I26 V27R25-K29 WeakPolarHBondContact O-CG 3.34Å; R25-K29 PolarHBondContact O-N 3.29Å; I26-K29 PolarHBondContact O-N 3.42Å; V27-K29 VanDerWaalsContact C-N 3.33Å; V27-K29 PolarHBondContact O-N 3.47Å
30N95.7Very high94.3Very high30 Ų3082.6 Ų82.616%0.1639%0.393CS..THydrogen-bonded Turntrans-10612.9-173.1-68.6-76.3000113.2I26 V27 S28 Y32 W33 Y34 F98 H101I26-N30 WeakPolarHBondContact O-CB 3.25Å; I26-N30 PolarHBondContact O-N 3.42Å; I26-N30 PolarHBondContact O-ND2 3.43Å; V27-N30 CarbonylContact O-C 3.43Å; V27-N30 PolarHBondContact O-N 2.82Å; V27-N30 VanDerWaalsContact O-N 3.14Å; S28-N30 VanDerWaalsContact C-N 3.31Å; S28-N30 PolarHBondContact O-N 3.01Å; N30-Y32 VanDerWaalsContact C-N 3.33Å; N30-Y32 PolarHBondContact O-N 2.59Å; N30-W33 HydrophobicContact CB-CE3 4.4Å; N30-W33 PolarHBondContact O-N 2.87Å; N30-Y34 PolarHBondContact O-N 3.15Å; N30-F98 HydrophobicContact CB-CB 4.21Å; N30-F98 HydrophobicContact CB-CD1 4Å; N30-F98 WeakPolarHBondContact CB-O 3.25Å; N30-F98 PolarHBondContact ND2-O 3.06Å; N30-F98 PolarHBondContact OD1-O 3.1Å; N30-H101 PolarHBondContact OD1-NE2 2.91Å
31M93.7Very high94.5Very high61 Ų6187.1 Ų87.130%0.342%0.423SS..Hα-helixtrans-66.2-36-176-168.357.668.500112.8V27 Y34 D35 K46V27-M31 HydrophobicContact CG1-CE 3.55Å; V27-M31 PolarHBondContact O-N 2.98Å; V27-M31 VanDerWaalsContact O-N 3.11Å; M31-Y34 WeakPolarHBondContact O-CB 3.1Å; M31-Y34 PolarHBondContact O-N 3.49Å; M31-Y34 HydrophobicContact SD-CD1 4.33Å; M31-D35 PolarHBondContact O-N 2.93Å; M31-K46 HydrophobicContact SD-CD 3.6Å; M31-K46 VanDerWaalsContact SD-CD 3.6Å; M31-K46 PolarHBondContact SD-NZ 3.3Å
32Y94.8Very high94.5Very high189 Ų18984.5 Ų84.574%0.74141%0.411SS*.Hα-helixtrans-65.6-45.2176-178.6-96.6000111.7N30 Y34 D35 T36N30-Y32 VanDerWaalsContact C-N 3.33Å; N30-Y32 PolarHBondContact O-N 2.59Å; Y32-Y34 VanDerWaalsContact C-N 3.27Å; Y32-Y34 PolarHBondContact O-N 3.37Å; Y32-D35 WeakPolarHBondContact O-CB 3.49Å; Y32-D35 PolarHBondContact O-N 3.39Å; Y32-T36 HydrophobicContact CE1-CG2 4.35Å; Y32-T36 PolarHBondContact O-N 3.27Å
33W96Very high94.6Very high44 Ų4481.1 Ų81.117%0.16739%0.392CS..Hα-helixtrans-58.6-41.617216680.2000111.4N30 D35 T36 L37 F97 F98 H101 I103N30-W33 HydrophobicContact CB-CE3 4.4Å; N30-W33 PolarHBondContact O-N 2.87Å; W33-D35 PolarHBondContact O-N 3.19Å; W33-T36 PolarHBondContact O-N 3.4Å; W33-T36 PolarHBondContact O-OG1 3.21Å; W33-L37 HydrophobicContact CH2-CD1 3.74Å; W33-L37 HydrophobicContact CZ2-CD1 3.84Å; W33-L37 HydrophobicContact CZ2-CD2 3.97Å; W33-L37 HydrophobicContact CZ2-CG 4.3Å; W33-L37 HydrophobicContact CZ3-CD1 4.08Å; W33-F97 HydrophobicContact CH2-CD1 4.18Å; W33-F97 AromaticContact CH2-CE1 3.97Å; W33-F97 HydrophobicContact CH2-CE1 3.97Å; W33-F97 HydrophobicContact CH2-CZ 4.44Å; W33-F97 WeakPolarHBondContact CH2-O 3.26Å; W33-F97 HydrophobicContact CZ3-CD1 4.14Å; W33-F97 AromaticContact CZ3-CE1 3.96Å; W33-F97 HydrophobicContact CZ3-CE1 3.96Å; W33-F97 WeakPolarHBondContact CZ3-O 3.49Å; W33-F98 HydrophobicContact CE3-CD1 4.35Å; W33-F98 HydrophobicContact CZ3-CD1 4.1Å; W33-H101 AromaticContact CD1-CE1 3.92Å; W33-H101 AromaticContact CD1-ND1 3.89Å; W33-H101 AromaticContact CD2-CD2 3.37Å; W33-H101 AromaticContact CD2-CG 3.84Å; W33-H101 AromaticContact CD2-NE2 3.61Å; W33-H101 AromaticContact CE2-CD2 3.44Å; W33-H101 VanDerWaalsContact CE2-CD2 3.44Å; W33-H101 AromaticContact CE2-CG 3.45Å; W33-H101 VanDerWaalsContact CE2-CG 3.45Å; W33-H101 AromaticContact CE3-CD2 3.59Å; W33-H101 AromaticContact CE3-NE2 3.93Å; W33-H101 AromaticContact CG-CD2 3.91Å; W33-H101 AromaticContact CG-CE1 3.85Å; W33-H101 AromaticContact CG-NE2 3.69Å; W33-H101 HydrophobicContact CH2-CB 4.21Å; W33-H101 AromaticContact CH2-CD2 3.92Å; W33-H101 HydrophobicContact CZ2-CB 3.51Å; W33-H101 AromaticContact CZ2-CD2 3.73Å; W33-H101 AromaticContact CZ2-CG 3.72Å; W33-H101 AromaticContact CZ3-CD2 3.86Å; W33-H101 AromaticContact NE1-CD2 3.96Å; W33-H101 AromaticContact NE1-CG 3.61Å; W33-H101 AromaticContact NE1-ND1 3.79Å; W33-I103 HydrophobicContact CH2-CG1 4.23Å; W33-I103 HydrophobicContact CZ2-CD1 4.2Å; W33-I103 HydrophobicContact CZ2-CG1 3.98Å
34Y94.6Very high94.6Very high19 Ų1982 Ų828%0.07540%0.397CS..Hα-helixtrans-60.8-34.3175.6-175-101.8000111.8N30 M31 Y32 T36 L37 K39 K46 F97 F98N30-Y34 PolarHBondContact O-N 3.15Å; M31-Y34 WeakPolarHBondContact O-CB 3.1Å; M31-Y34 PolarHBondContact O-N 3.49Å; M31-Y34 HydrophobicContact SD-CD1 4.33Å; Y32-Y34 VanDerWaalsContact C-N 3.27Å; Y32-Y34 PolarHBondContact O-N 3.37Å; Y34-T36 VanDerWaalsContact C-N 3.28Å; Y34-T36 PolarHBondContact O-N 3Å; Y34-L37 HydrophobicContact CD2-CD1 4.07Å; Y34-L37 PolarHBondContact O-N 3.31Å; Y34-K39 VanDerWaalsContact CD1-NZ 3.33Å; Y34-K39 VanDerWaalsContact CD2-NZ 3.33Å; Y34-K39 HydrophobicContact CE1-CD 4.24Å; Y34-K39 WeakPolarHBondContact O-CE 3.11Å; Y34-K39 PolarHBondContact O-NZ 3.49Å; Y34-K46 HydrophobicContact CD1-CD 4.31Å; Y34-K46 HydrophobicContact CE1-CD 4.4Å; Y34-K46 HydrophobicContact CE1-CG 4.17Å; Y34-F97 AromaticContact CD2-CE1 3.96Å; Y34-F97 HydrophobicContact CD2-CE1 3.96Å; Y34-F97 AromaticContact CE2-CE1 3.99Å; Y34-F97 HydrophobicContact CE2-CE1 3.99Å; Y34-F97 HydrophobicContact CE2-CZ 4.39Å; Y34-F98 AromaticContact CD2-CE1 3.77Å; Y34-F98 HydrophobicContact CD2-CE1 3.77Å; Y34-F98 AromaticContact CD2-CZ 3.88Å; Y34-F98 HydrophobicContact CD2-CZ 3.88Å; Y34-F98 HydrophobicContact CE2-CZ 4.21Å; Y34-F98 AromaticContact CG-CE1 3.84Å; Y34-F98 HydrophobicContact CG-CE1 3.84Å; Y34-F98 HydrophobicContact CG-CZ 4.23Å
35D94.2Very high94.6Very high93 Ų9380.1 Ų80.150%0.49740%0.395SS..Hα-helixtrans-65.2-27174.8-77.6-42000114.4M31 Y32 W33 L37 K46M31-D35 PolarHBondContact O-N 2.93Å; Y32-D35 WeakPolarHBondContact O-CB 3.49Å; Y32-D35 PolarHBondContact O-N 3.39Å; W33-D35 PolarHBondContact O-N 3.19Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 3.46Å; D35-K46 WeakPolarHBondContact OD1-CE 3.27Å; D35-K46 IonicContact OD1-NZ 2.59Å; D35-K46 PolarHBondContact OD1-NZ 3.33Å; D35-K46 IonicContact OD2-NZ 2.71Å; D35-K46 PolarHBondContact OD2-NZ 2.89Å
36T95.2Very high94.5Very high87 Ų8774.3 Ų74.353%0.53438%0.375SS..Hα-helixtrans-77.8-16.717969.40000112.9Y32 W33 Y34Y32-T36 HydrophobicContact CE1-CG2 4.35Å; Y32-T36 PolarHBondContact O-N 3.27Å; W33-T36 PolarHBondContact O-N 3.4Å; W33-T36 PolarHBondContact O-OG1 3.21Å; Y34-T36 VanDerWaalsContact C-N 3.28Å; Y34-T36 PolarHBondContact O-N 3Å
37L94.9Very high94.4Very high18 Ų1881.1 Ų81.19%0.09440%0.398CS..SBendtrans-72.6137.4-177.8-60.7-178.1000112.3W33 Y34 D35 K39 F97 I103 V152W33-L37 HydrophobicContact CH2-CD1 3.74Å; W33-L37 HydrophobicContact CZ2-CD1 3.84Å; W33-L37 HydrophobicContact CZ2-CD2 3.97Å; W33-L37 HydrophobicContact CZ2-CG 4.3Å; W33-L37 HydrophobicContact CZ3-CD1 4.08Å; Y34-L37 HydrophobicContact CD2-CD1 4.07Å; Y34-L37 PolarHBondContact O-N 3.31Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 3.46Å; L37-K39 PolarHBondContact O-N 2.95Å; L37-F97 HydrophobicContact CD1-CE1 4.43Å; L37-F97 HydrophobicContact CD1-CZ 4.2Å; L37-I103 HydrophobicContact CD1-CD1 4.17Å; L37-I103 HydrophobicContact CD2-CD1 3.59Å; L37-V152 HydrophobicContact CD1-CG1 4.17Å
38R95.2Very high94.5Very high181 Ų18180.9 Ų80.968%0.68340%0.396SS*.  trans-68.3127.8166.8-64.7179.4178.6-177.51.4109.7L155 N156R38-L155 HydrophobicContact CB-CB 3.87Å; R38-N156 PolarHBondContact N-OD1 2.57Å; R38-N156 PolarHBondContact O-ND2 3.44Å
39K93.8Very high94.4Very high61 Ų6179.2 Ų79.227%0.26538%0.379SS..  trans-124.9149.6-177.3-62.7167.7-149-62.50110.3Y34 L37 V152Y34-K39 VanDerWaalsContact CD1-NZ 3.33Å; Y34-K39 VanDerWaalsContact CD2-NZ 3.33Å; Y34-K39 HydrophobicContact CE1-CD 4.24Å; Y34-K39 WeakPolarHBondContact O-CE 3.11Å; Y34-K39 PolarHBondContact O-NZ 3.49Å; L37-K39 PolarHBondContact O-N 2.95Å; K39-V152 HydrophobicContact CG-CG2 4.25Å
40P94.7Very high94.3Very high13 Ų1372.7 Ų72.78%0.08436%0.362CS..  trans-64.8147.9171.427.3-32.5000110.7F42 S43 I148 R151P40-F42 HydrophobicContact CB-CD1 3.86Å; P40-F42 HydrophobicContact CB-CE1 3.43Å; P40-F42 VanDerWaalsContact CB-CE1 3.43Å; P40-F42 HydrophobicContact CB-CE2 4.16Å; P40-F42 HydrophobicContact CB-CG 4.4Å; P40-F42 HydrophobicContact CB-CZ 3.59Å; P40-F42 HydrophobicContact CG-CD2 4.46Å; P40-F42 HydrophobicContact CG-CE1 4.12Å; P40-F42 HydrophobicContact CG-CE2 3.94Å; P40-F42 HydrophobicContact CG-CZ 3.74Å; P40-F42 PolarHBondContact O-N 3.34Å; P40-F42 VanDerWaalsContact O-N 3.13Å; P40-S43 WeakPolarHBondContact CD-OG 3.42Å; P40-S43 WeakPolarHBondContact CG-OG 3.19Å; P40-S43 WeakPolarHBondContact O-CB 3.46Å; P40-S43 PolarHBondContact O-N 3.4Å; P40-S43 PolarHBondContact O-OG 2.92Å; P40-I148 HydrophobicContact CG-CG2 4.45Å; P40-R151 HydrophobicContact CB-CB 4.23Å; P40-R151 HydrophobicContact CG-CB 3.9Å
41S94.4Very high94.3Very high131 Ų13174.9 Ų74.992%0.91638%0.378SS*.THydrogen-bonded Turntrans-60.6-22.8-176.752.90000114.5S43S41-S43 VanDerWaalsContact C-N 3.32Å
42F94.8Very high94.5Very high94 Ų9473.9 Ų73.941%0.41238%0.375SS..THydrogen-bonded Turntrans-87.15.3176.961-99.8000113.8P40 F144 V147 I148 R151P40-F42 HydrophobicContact CB-CD1 3.86Å; P40-F42 HydrophobicContact CB-CE1 3.43Å; P40-F42 VanDerWaalsContact CB-CE1 3.43Å; P40-F42 HydrophobicContact CB-CE2 4.16Å; P40-F42 HydrophobicContact CB-CG 4.4Å; P40-F42 HydrophobicContact CB-CZ 3.59Å; P40-F42 HydrophobicContact CG-CD2 4.46Å; P40-F42 HydrophobicContact CG-CE1 4.12Å; P40-F42 HydrophobicContact CG-CE2 3.94Å; P40-F42 HydrophobicContact CG-CZ 3.74Å; P40-F42 PolarHBondContact O-N 3.34Å; P40-F42 VanDerWaalsContact O-N 3.13Å; F42-F144 AromaticContact CD2-CE2 3.93Å; F42-F144 HydrophobicContact CD2-CE2 3.93Å; F42-F144 HydrophobicContact CD2-CZ 4.25Å; F42-F144 HydrophobicContact CE2-CE2 4.36Å; F42-V147 HydrophobicContact CE2-CG1 4Å; F42-V147 HydrophobicContact CZ-CG1 3.8Å; F42-I148 HydrophobicContact CD2-CG1 4.21Å; F42-I148 HydrophobicContact CE2-CG1 3.72Å; F42-R151 HydrophobicContact CZ-CG 4.22Å
43S94Very high94.6Very high25 Ų2567 Ų6718%0.17535%0.348CS..PPolyproline II helixtrans-64.2130.7175.8-56.90000109.9P40 S41P40-S43 WeakPolarHBondContact CD-OG 3.42Å; P40-S43 WeakPolarHBondContact CG-OG 3.19Å; P40-S43 WeakPolarHBondContact O-CB 3.46Å; P40-S43 PolarHBondContact O-N 3.4Å; P40-S43 PolarHBondContact O-OG 2.92Å; S41-S43 VanDerWaalsContact C-N 3.32Å
44P93.5Very high94.6Very high25 Ų2567.8 Ų67.816%0.16236%0.361CS..PPolyproline II helixtrans-67.9155.217929.9-34.2000110.3V48 F49 W141 F144 I148P44-V48 HydrophobicContact CB-CB 4.12Å; P44-V48 HydrophobicContact CB-CG1 4.17Å; P44-V48 HydrophobicContact CB-CG2 4.32Å; P44-F49 HydrophobicContact CG-CE1 4.41Å; P44-F49 HydrophobicContact CG-CE2 3.77Å; P44-F49 HydrophobicContact CG-CZ 3.7Å; P44-W141 HydrophobicContact CG-CH2 4.25Å; P44-F144 HydrophobicContact CG-CE1 4.1Å; P44-I148 HydrophobicContact CG-CD1 4.48Å
45P93.8Very high94.7Very high77 Ų7769.9 Ų69.950%0.538%0.382SS..PPolyproline II helixtrans-53.7144.9170.2-25.634.4000111.8W47 V48P45-W47 VanDerWaalsContact CB-CD1 3.49Å; P45-W47 HydrophobicContact CB-CG 4.45Å; P45-W47 PolarHBondContact O-N 3.4Å; P45-W47 VanDerWaalsContact O-N 3.08Å; P45-V48 HydrophobicContact CB-CG2 4.27Å; P45-V48 HydrophobicContact CG-CG2 4.44Å; P45-V48 VanDerWaalsContact O-CB 3.3Å; P45-V48 WeakPolarHBondContact O-CB 3.41Å; P45-V48 WeakPolarHBondContact O-CG2 3.18Å; P45-V48 PolarHBondContact O-N 2.98Å
46K92.7Very high94.8Very high71 Ų7165.9 Ų65.931%0.30936%0.36SS..Hα-helixtrans-54.3-34.8-174.7-58.9-175.5-175.2-174.40114.4M31 Y34 D35 V48 F49M31-K46 HydrophobicContact SD-CD 3.6Å; M31-K46 VanDerWaalsContact SD-CD 3.6Å; M31-K46 PolarHBondContact SD-NZ 3.3Å; Y34-K46 HydrophobicContact CD1-CD 4.31Å; Y34-K46 HydrophobicContact CE1-CD 4.4Å; Y34-K46 HydrophobicContact CE1-CG 4.17Å; D35-K46 WeakPolarHBondContact OD1-CE 3.27Å; D35-K46 IonicContact OD1-NZ 2.59Å; D35-K46 PolarHBondContact OD1-NZ 3.33Å; D35-K46 IonicContact OD2-NZ 2.71Å; D35-K46 PolarHBondContact OD2-NZ 2.89Å; K46-V48 PolarHBondContact O-N 3.37Å; K46-F49 WeakPolarHBondContact O-CD2 3.4Å; K46-F49 PolarHBondContact O-N 3.18Å
47W92.9Very high94.9Very high190 Ų19062.6 Ų62.672%0.7234%0.338SS*.Hα-helixtrans-65.2-23.7-179.171.7-98.4000112.6P45 F49 P51P45-W47 VanDerWaalsContact CB-CD1 3.49Å; P45-W47 HydrophobicContact CB-CG 4.45Å; P45-W47 PolarHBondContact O-N 3.4Å; P45-W47 VanDerWaalsContact O-N 3.08Å; W47-F49 VanDerWaalsContact C-N 3.32Å; W47-F49 PolarHBondContact O-N 2.87Å; W47-P51 WeakPolarHBondContact O-CD 3.38Å
48V95.7Very high95Very high31 Ų3162.9 Ų62.919%0.18835%0.345CS..Hα-helixtrans-67.2-33.7-179.6176.70000111.6P44 P45 K46 G50 P51 V52 W141P44-V48 HydrophobicContact CB-CB 4.12Å; P44-V48 HydrophobicContact CB-CG1 4.17Å; P44-V48 HydrophobicContact CB-CG2 4.32Å; P45-V48 HydrophobicContact CB-CG2 4.27Å; P45-V48 HydrophobicContact CG-CG2 4.44Å; P45-V48 VanDerWaalsContact O-CB 3.3Å; P45-V48 WeakPolarHBondContact O-CB 3.41Å; P45-V48 WeakPolarHBondContact O-CG2 3.18Å; P45-V48 PolarHBondContact O-N 2.98Å; K46-V48 PolarHBondContact O-N 3.37Å; V48-G50 VanDerWaalsContact C-N 3.34Å; V48-G50 PolarHBondContact O-N 3.31Å; V48-P51 WeakPolarHBondContact O-CD 3.21Å; V48-V52 HydrophobicContact CG1-CG2 3.82Å; V48-V52 WeakPolarHBondContact O-CB 3.37Å; V48-V52 VanDerWaalsContact O-CG2 3.26Å; V48-V52 WeakPolarHBondContact O-CG2 3.47Å; V48-V52 PolarHBondContact O-N 3.07Å; V48-W141 HydrophobicContact CG1-CH2 4.3Å
49F92.8Very high95Very high45 Ų4555.9 Ų55.920%0.19732%0.324CS..Hα-helixtrans-61-40.9-175.7-70.4-90.5000112.4P44 K46 W47 W53 W141P44-F49 HydrophobicContact CG-CE1 4.41Å; P44-F49 HydrophobicContact CG-CE2 3.77Å; P44-F49 HydrophobicContact CG-CZ 3.7Å; K46-F49 WeakPolarHBondContact O-CD2 3.4Å; K46-F49 PolarHBondContact O-N 3.18Å; W47-F49 VanDerWaalsContact C-N 3.32Å; W47-F49 PolarHBondContact O-N 2.87Å; F49-W53 WeakPolarHBondContact O-CB 3.43Å; F49-W53 PolarHBondContact O-N 3.09Å; F49-W141 AromaticContact CD1-CZ2 3.9Å; F49-W141 HydrophobicContact CD1-CZ2 3.9Å; F49-W141 HydrophobicContact CE1-CZ2 4.17Å
50G93.5Very high95.2Very high41 Ų4153 Ų5342%0.42331%0.312SS..Hα-helixtrans-61-59-177.500000113.4V48 V52 W53 S54V48-G50 VanDerWaalsContact C-N 3.34Å; V48-G50 PolarHBondContact O-N 3.31Å; G50-V52 VanDerWaalsContact C-N 3.34Å; G50-V52 PolarHBondContact O-N 3.3Å; G50-W53 PolarHBondContact O-N 3.46Å; G50-S54 WeakPolarHBondContact O-CB 3.16Å; G50-S54 PolarHBondContact O-N 2.8Å; G50-S54 PolarHBondContact O-OG 3.44Å
51P96Very high95.3Very high77 Ų7752.4 Ų52.450%0.531%0.308SS..Hα-helixtrans-58.9-41.4177.4-26.535.9000113.2W47 V48 S54 A55W47-P51 WeakPolarHBondContact O-CD 3.38Å; V48-P51 WeakPolarHBondContact O-CD 3.21Å; P51-S54 PolarHBondContact O-N 3.35Å; P51-A55 PolarHBondContact O-N 3.31Å
52V97.1Very high95.4Very high40 Ų4047.5 Ų47.524%0.24228%0.275CS..Hα-helixtrans-63.3-52179.1173.80000110.6V48 G50 S54 A55 L56 W141V48-V52 HydrophobicContact CG1-CG2 3.82Å; V48-V52 WeakPolarHBondContact O-CB 3.37Å; V48-V52 VanDerWaalsContact O-CG2 3.26Å; V48-V52 WeakPolarHBondContact O-CG2 3.47Å; V48-V52 PolarHBondContact O-N 3.07Å; G50-V52 VanDerWaalsContact C-N 3.34Å; G50-V52 PolarHBondContact O-N 3.3Å; V52-S54 VanDerWaalsContact C-N 3.29Å; V52-S54 PolarHBondContact O-N 3.33Å; V52-A55 PolarHBondContact O-N 3.03Å; V52-L56 HydrophobicContact CG1-CD1 3.71Å; V52-L56 HydrophobicContact CG1-CG 4.23Å; V52-L56 VanDerWaalsContact O-CG 3.22Å; V52-L56 WeakPolarHBondContact O-CG 3.3Å; V52-L56 PolarHBondContact O-N 2.9Å; V52-W141 HydrophobicContact CB-CH2 4.27Å; V52-W141 HydrophobicContact CB-CZ2 4.1Å; V52-W141 HydrophobicContact CG1-CD2 3.44Å; V52-W141 VanDerWaalsContact CG1-CD2 3.44Å; V52-W141 VanDerWaalsContact CG1-CE2 3.44Å; V52-W141 HydrophobicContact CG1-CE3 3.74Å; V52-W141 HydrophobicContact CG1-CG 3.89Å; V52-W141 HydrophobicContact CG1-CH2 4.03Å; V52-W141 HydrophobicContact CG1-CZ2 3.76Å; V52-W141 HydrophobicContact CG1-CZ3 4.02Å; V52-W141 HydrophobicContact CG2-CH2 4.17Å; V52-W141 HydrophobicContact CG2-CZ2 4.49Å; V52-W141 HydrophobicContact CG2-CZ3 4.32Å
53W96.3Very high95.5Very high43 Ų4343 Ų4316%0.16326%0.255CS..Hα-helixtrans-61.5-37178-79.5116.5000112.9F49 G50 L56 Y57 N90 Y138 W141 T142F49-W53 WeakPolarHBondContact O-CB 3.43Å; F49-W53 PolarHBondContact O-N 3.09Å; G50-W53 PolarHBondContact O-N 3.46Å; W53-L56 HydrophobicContact CE3-CB 4.49Å; W53-L56 HydrophobicContact CE3-CD1 4.2Å; W53-L56 HydrophobicContact CZ3-CD1 4.45Å; W53-L56 PolarHBondContact O-N 3.45Å; W53-Y57 HydrophobicContact CB-CE2 4.15Å; W53-Y57 AromaticContact CE3-CE1 4Å; W53-Y57 HydrophobicContact CE3-CE1 4Å; W53-Y57 HydrophobicContact CE3-CE2 4.47Å; W53-Y57 AromaticContact CE3-CZ 3.93Å; W53-Y57 HydrophobicContact CZ3-CE1 4.3Å; W53-Y57 WeakPolarHBondContact O-CB 3.23Å; W53-Y57 WeakPolarHBondContact O-CD2 3.46Å; W53-Y57 VanDerWaalsContact O-CG 3.25Å; W53-Y57 PolarHBondContact O-N 3.15Å; W53-N90 WeakPolarHBondContact CH2-ND2 3.42Å; W53-N90 VanDerWaalsContact CZ3-ND2 3.25Å; W53-N90 WeakPolarHBondContact CZ3-ND2 3.46Å; W53-Y138 AromaticContact CH2-CE2 3.94Å; W53-Y138 HydrophobicContact CH2-CE2 3.94Å; W53-Y138 HydrophobicContact CZ3-CD2 4.23Å; W53-Y138 AromaticContact CZ3-CE2 3.57Å; W53-Y138 HydrophobicContact CZ3-CE2 3.57Å; W53-W141 AromaticContact CE2-CD1 3.93Å; W53-W141 AromaticContact CE2-NE1 3.42Å; W53-W141 AromaticContact CZ2-CD1 3.77Å; W53-W141 AromaticContact CZ2-NE1 3.59Å; W53-W141 AromaticContact NE1-NE1 3.53Å; W53-T142 HydrophobicContact CH2-CG2 4.22Å
54S96Very high95.6Very high62 Ų6241.9 Ų41.943%0.43425%0.247SC..Hα-helixtrans-61.3-45.9175.8-55.50000111.8F17 G50 P51 V52 G58F17-S54 WeakPolarHBondContact CZ-O 3.47Å; G50-S54 WeakPolarHBondContact O-CB 3.16Å; G50-S54 PolarHBondContact O-N 2.8Å; G50-S54 PolarHBondContact O-OG 3.44Å; P51-S54 PolarHBondContact O-N 3.35Å; V52-S54 VanDerWaalsContact C-N 3.29Å; V52-S54 PolarHBondContact O-N 3.33Å; S54-G58 PolarHBondContact O-N 3.41Å
55A97.1Very high95.7Very high63 Ų6341.3 Ų41.352%0.52124%0.242SC..Hα-helixtrans-63.4-43.9176.100000111.5P51 V52 Y57 G58 C59P51-A55 PolarHBondContact O-N 3.31Å; V52-A55 PolarHBondContact O-N 3.03Å; A55-Y57 PolarHBondContact O-N 3.36Å; A55-G58 PolarHBondContact O-N 3.35Å; A55-C59 PolarHBondContact O-N 3.21Å; A55-C59 PolarHBondContact O-SG 2.87Å; A55-C59 VanDerWaalsContact O-SG 3.4Å
56L97.4Very high95.7Very high9 Ų938.9 Ų38.95%0.04723%0.225CC..Hα-helixtrans-63.5-41.6179.3-67174.3000112.3V52 W53 G58 C59 M60 P137 Y138 W141V52-L56 HydrophobicContact CG1-CD1 3.71Å; V52-L56 HydrophobicContact CG1-CG 4.23Å; V52-L56 VanDerWaalsContact O-CG 3.22Å; V52-L56 WeakPolarHBondContact O-CG 3.3Å; V52-L56 PolarHBondContact O-N 2.9Å; W53-L56 HydrophobicContact CE3-CB 4.49Å; W53-L56 HydrophobicContact CE3-CD1 4.2Å; W53-L56 HydrophobicContact CZ3-CD1 4.45Å; W53-L56 PolarHBondContact O-N 3.45Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 3.3Å; L56-C59 PolarHBondContact O-N 3.43Å; L56-M60 WeakPolarHBondContact O-CB 3.11Å; L56-M60 WeakPolarHBondContact O-CG 3.33Å; L56-M60 PolarHBondContact O-N 2.92Å; L56-P137 HydrophobicContact CD2-CB 3.97Å; L56-Y138 HydrophobicContact CB-CD2 4.41Å; L56-Y138 HydrophobicContact CD1-CD2 4.21Å; L56-W141 HydrophobicContact CD1-CB 3.64Å; L56-W141 HydrophobicContact CD1-CD2 4.45Å; L56-W141 HydrophobicContact CD1-CG 3.52Å
57Y96.9Very high95.8Very high17 Ų1735.5 Ų35.57%0.06721%0.21CC..Hα-helixtrans-62.7-39.4175.7-71.7-32.1000112.5P16 F17 A20 W53 A55 M60 G61 N90P16-Y57 HydrophobicContact CB-CD1 3.56Å; P16-Y57 HydrophobicContact CB-CE1 4.36Å; P16-Y57 HydrophobicContact CB-CG 3.87Å; F17-Y57 HydrophobicContact CD1-CD2 4.31Å; F17-Y57 HydrophobicContact CE1-CD2 4.46Å; A20-Y57 HydrophobicContact CB-CD2 4.05Å; A20-Y57 HydrophobicContact CB-CE2 3.45Å; A20-Y57 VanDerWaalsContact CB-CE2 3.45Å; W53-Y57 HydrophobicContact CB-CE2 4.15Å; W53-Y57 AromaticContact CE3-CE1 4Å; W53-Y57 HydrophobicContact CE3-CE1 4Å; W53-Y57 HydrophobicContact CE3-CE2 4.47Å; W53-Y57 AromaticContact CE3-CZ 3.93Å; W53-Y57 HydrophobicContact CZ3-CE1 4.3Å; W53-Y57 WeakPolarHBondContact O-CB 3.23Å; W53-Y57 WeakPolarHBondContact O-CD2 3.46Å; W53-Y57 VanDerWaalsContact O-CG 3.25Å; W53-Y57 PolarHBondContact O-N 3.15Å; A55-Y57 PolarHBondContact O-N 3.36Å; Y57-M60 HydrophobicContact CD1-SD 3.97Å; Y57-M60 HydrophobicContact CE1-SD 4.43Å; Y57-M60 PolarHBondContact O-N 3.22Å; Y57-G61 PolarHBondContact O-N 3.35Å; Y57-N90 WeakPolarHBondContact CE1-OD1 3.38Å; Y57-N90 PolarHBondContact OH-OD1 3.43Å
58G96.4Very high95.9Very high24 Ų2430.7 Ų30.725%0.24719%0.192CC..Hα-helixtrans-59.2-48.7170.600000112.4S54 A55 L56 G61 A62S54-G58 PolarHBondContact O-N 3.41Å; A55-G58 PolarHBondContact O-N 3.35Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 3.3Å; G58-G61 PolarHBondContact O-N 2.85Å; G58-A62 WeakPolarHBondContact O-CB 3.39Å; G58-A62 PolarHBondContact O-N 3.46Å
59C96.4Very high95.8Very high35 Ų3534.6 Ų34.624%0.23620%0.203CC..Hα-helixtrans-62-44.5177.5-68.70000112.6A55 L56 A62 A63 L134A55-C59 PolarHBondContact O-N 3.21Å; A55-C59 PolarHBondContact O-SG 2.87Å; A55-C59 VanDerWaalsContact O-SG 3.4Å; L56-C59 PolarHBondContact O-N 3.43Å; C59-A62 PolarHBondContact O-N 3.45Å; C59-A63 VanDerWaalsContact O-CB 3.3Å; C59-A63 WeakPolarHBondContact O-CB 3.37Å; C59-A63 PolarHBondContact O-N 3.02Å; C59-L134 HydrophobicContact CB-CB 4.36Å; C59-L134 HydrophobicContact CB-CD2 4.25Å
60M97.5Very high95.7Very high0 Ų035.5 Ų35.50%021%0.21CC..Hα-helixtrans-61.5-44.7178.7-75.5171.268.200111.8P16 L56 Y57 A63 S64 Y83 L87 M135 Y138P16-M60 HydrophobicContact CG-CB 4.39Å; L56-M60 WeakPolarHBondContact O-CB 3.11Å; L56-M60 WeakPolarHBondContact O-CG 3.33Å; L56-M60 PolarHBondContact O-N 2.92Å; Y57-M60 HydrophobicContact CD1-SD 3.97Å; Y57-M60 HydrophobicContact CE1-SD 4.43Å; Y57-M60 PolarHBondContact O-N 3.22Å; M60-A63 PolarHBondContact O-N 3.01Å; M60-S64 PolarHBondContact O-N 3.39Å; M60-S64 PolarHBondContact O-OG 3.5Å; M60-Y83 HydrophobicContact CB-CE2 4.14Å; M60-Y83 HydrophobicContact CE-CE2 4.17Å; M60-Y83 PolarHBondContact O-OH 2.82Å; M60-L87 HydrophobicContact CE-CD1 3.97Å; M60-M135 HydrophobicContact CB-SD 4.33Å; M60-M135 HydrophobicContact CG-CE 4.44Å; M60-M135 HydrophobicContact CG-SD 3.87Å; M60-Y138 HydrophobicContact CE-CD1 4.34Å; M60-Y138 HydrophobicContact CE-CE1 3.75Å; M60-Y138 HydrophobicContact CG-CD1 3.94Å; M60-Y138 HydrophobicContact CG-CE1 4.3Å; M60-Y138 HydrophobicContact CG-CG 4.06Å; M60-Y138 HydrophobicContact SD-CD1 3.87Å; M60-Y138 HydrophobicContact SD-CD2 3.9Å; M60-Y138 HydrophobicContact SD-CE1 3.74Å; M60-Y138 HydrophobicContact SD-CE2 3.81Å; M60-Y138 HydrophobicContact SD-CG 3.92Å
61G96.4Very high95.5Very high0 Ų034.1 Ų34.10%019%0.194CC..Hα-helixtrans-70-37.1178.300000113.1F12 Y57 G58 S64 Y65F12-G61 WeakPolarHBondContact CB-O 3.36Å; F12-G61 WeakPolarHBondContact O-CA 3.32Å; Y57-G61 PolarHBondContact O-N 3.35Å; G58-G61 PolarHBondContact O-N 2.85Å; G61-S64 PolarHBondContact O-OG 3.31Å; G61-Y65 PolarHBondContact O-N 2.81Å
62A96Very high95Very high28 Ų2834.5 Ų34.523%0.23120%0.196CC..Hα-helixtrans-65-40.5171.600000111.8G58 C59 Y65 L66 L134G58-A62 WeakPolarHBondContact O-CB 3.39Å; G58-A62 PolarHBondContact O-N 3.46Å; C59-A62 PolarHBondContact O-N 3.45Å; A62-Y65 PolarHBondContact O-N 3.22Å; A62-L66 WeakPolarHBondContact O-CG 3.13Å; A62-L66 PolarHBondContact O-N 3.22Å; A62-L134 HydrophobicContact CB-CD1 3.95Å
63A96.5Very high94.2Very high0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-62.8-45.5176.400000111.9C59 M60 Y65 L66 V67 F124 A131 L134 M135C59-A63 VanDerWaalsContact O-CB 3.3Å; C59-A63 WeakPolarHBondContact O-CB 3.37Å; C59-A63 PolarHBondContact O-N 3.02Å; M60-A63 PolarHBondContact O-N 3.01Å; A63-Y65 VanDerWaalsContact C-N 3.34Å; A63-Y65 PolarHBondContact O-N 2.95Å; A63-L66 PolarHBondContact O-N 3.01Å; A63-V67 WeakPolarHBondContact O-CG2 2.94Å; A63-V67 PolarHBondContact O-N 3.32Å; A63-F124 HydrophobicContact CB-CD2 4.27Å; A63-F124 HydrophobicContact CB-CE2 4.11Å; A63-A131 HydrophobicContact CB-CB 4.24Å; A63-A131 WeakPolarHBondContact CB-O 3.47Å; A63-L134 HydrophobicContact CB-CB 3.98Å; A63-L134 HydrophobicContact CB-CD1 4.41Å; A63-M135 HydrophobicContact CB-CG 3.87Å; A63-M135 HydrophobicContact CB-SD 4.07Å
64S96.1Very high93.6Very high1 Ų147 Ų471%0.00725%0.253CS..Hα-helixtrans-66.1-36.1178.863.60000112.3M60 G61 V67 W68 Y83M60-S64 PolarHBondContact O-N 3.39Å; M60-S64 PolarHBondContact O-OG 3.5Å; G61-S64 PolarHBondContact O-OG 3.31Å; S64-V67 PolarHBondContact O-N 3.39Å; S64-W68 WeakPolarHBondContact O-CB 3.49Å; S64-W68 PolarHBondContact O-N 2.74Å; S64-Y83 PolarHBondContact OG-OH 3.42Å
65Y95.7Very high93.1Very high14 Ų1451.1 Ų51.16%0.05526%0.263CS..Hα-helixtrans-61-47.8171.1172-110.6000112.6S5 H8 A9 F12 G61 A62 A63 V67 W68 R69S5-Y65 WeakPolarHBondContact CA-OH 3.39Å; S5-Y65 WeakPolarHBondContact CB-OH 3.47Å; S5-Y65 PolarHBondContact O-OH 3.18Å; S5-Y65 PolarHBondContact OG-OH 3.03Å; H8-Y65 HydrophobicContact CB-CE2 3.83Å; A9-Y65 VanDerWaalsContact CA-CD2 3.46Å; A9-Y65 HydrophobicContact CB-CD1 3.74Å; A9-Y65 HydrophobicContact CB-CD2 3.8Å; A9-Y65 HydrophobicContact CB-CE1 3.92Å; A9-Y65 HydrophobicContact CB-CE2 3.97Å; A9-Y65 HydrophobicContact CB-CG 3.67Å; F12-Y65 HydrophobicContact CD2-CD2 4.09Å; F12-Y65 HydrophobicContact CE2-CD2 4.39Å; G61-Y65 PolarHBondContact O-N 2.81Å; A62-Y65 PolarHBondContact O-N 3.22Å; A63-Y65 VanDerWaalsContact C-N 3.34Å; A63-Y65 PolarHBondContact O-N 2.95Å; Y65-V67 VanDerWaalsContact C-N 3.32Å; Y65-V67 PolarHBondContact O-N 3.44Å; Y65-W68 HydrophobicContact CD2-CE3 4.15Å; Y65-W68 HydrophobicContact CE2-CE3 4.08Å; Y65-W68 HydrophobicContact CE2-CZ3 4.07Å; Y65-W68 PolarHBondContact O-N 2.95Å; Y65-R69 WeakPolarHBondContact O-CB 3.22Å; Y65-R69 PolarHBondContact O-N 3.31Å
66L94.8Very high92.7Very high26 Ų2648.8 Ų48.814%0.13624%0.243CC..Hα-helixtrans-61.8-40.6179.2-72.3175.9000111.9A62 A63 R69 D70 N130 A131 L134A62-L66 WeakPolarHBondContact O-CG 3.13Å; A62-L66 PolarHBondContact O-N 3.22Å; A63-L66 PolarHBondContact O-N 3.01Å; L66-R69 PolarHBondContact O-N 3.34Å; L66-D70 WeakPolarHBondContact O-CB 3.45Å; L66-D70 PolarHBondContact O-N 3.24Å; L66-N130 HydrophobicContact CD1-CB 4.11Å; L66-A131 HydrophobicContact CB-CB 3.85Å; L66-A131 HydrophobicContact CD1-CB 4.22Å; L66-L134 HydrophobicContact CD1-CD1 3.96Å
67V94.8Very high92.4Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-63.9-46.7175169.30000110.9A63 S64 Y65 R69 D70 T71 P79 L80 F124 I127 A131A63-V67 WeakPolarHBondContact O-CG2 2.94Å; A63-V67 PolarHBondContact O-N 3.32Å; S64-V67 PolarHBondContact O-N 3.39Å; Y65-V67 VanDerWaalsContact C-N 3.32Å; Y65-V67 PolarHBondContact O-N 3.44Å; V67-R69 VanDerWaalsContact C-N 3.3Å; V67-R69 PolarHBondContact O-N 3.18Å; V67-D70 PolarHBondContact O-N 3.2Å; V67-T71 VanDerWaalsContact O-CB 3.25Å; V67-T71 WeakPolarHBondContact O-CB 3.49Å; V67-T71 PolarHBondContact O-N 3.29Å; V67-T71 PolarHBondContact O-OG1 2.95Å; V67-P79 HydrophobicContact CG1-CB 3.92Å; V67-L80 HydrophobicContact CB-CD2 4.42Å; V67-L80 HydrophobicContact CG1-CD2 4.02Å; V67-L80 HydrophobicContact CG1-CG 4.43Å; V67-F124 HydrophobicContact CB-CE1 4.41Å; V67-F124 HydrophobicContact CB-CZ 4.5Å; V67-F124 HydrophobicContact CG1-CD1 4.28Å; V67-F124 HydrophobicContact CG1-CE1 4.11Å; V67-F124 HydrophobicContact CG2-CB 3.95Å; V67-F124 HydrophobicContact CG2-CD1 3.54Å; V67-F124 HydrophobicContact CG2-CD2 3.56Å; V67-F124 HydrophobicContact CG2-CE1 3.81Å; V67-F124 HydrophobicContact CG2-CE2 3.82Å; V67-F124 HydrophobicContact CG2-CG 3.41Å; V67-F124 VanDerWaalsContact CG2-CG 3.41Å; V67-F124 HydrophobicContact CG2-CZ 3.93Å; V67-I127 HydrophobicContact CG1-CD1 4.07Å; V67-I127 HydrophobicContact CG1-CG2 4.45Å; V67-A131 HydrophobicContact CG2-CB 3.79Å
68W94.5Very high92.2Very high88 Ų8858.4 Ų58.433%0.33330%0.296SS..Hα-helixtrans-59.7-41.4177.2174.780.5000112.3H8 F12 S64 Y65 L80H8-W68 HydrophobicContact CB-CH2 4.49Å; H8-W68 HydrophobicContact CB-CZ3 4.14Å; F12-W68 HydrophobicContact CE1-CB 3.72Å; F12-W68 AromaticContact CE1-CG 3.98Å; F12-W68 HydrophobicContact CE1-CG 3.98Å; F12-W68 HydrophobicContact CE2-CD2 4.11Å; F12-W68 HydrophobicContact CE2-CE3 4.21Å; F12-W68 HydrophobicContact CE2-CG 4.27Å; F12-W68 HydrophobicContact CZ-CB 3.66Å; F12-W68 AromaticContact CZ-CD1 3.83Å; F12-W68 AromaticContact CZ-CD2 3.71Å; F12-W68 HydrophobicContact CZ-CD2 3.71Å; F12-W68 HydrophobicContact CZ-CE3 4.23Å; F12-W68 AromaticContact CZ-CG 3.42Å; F12-W68 HydrophobicContact CZ-CG 3.42Å; F12-W68 VanDerWaalsContact CZ-CG 3.42Å; S64-W68 WeakPolarHBondContact O-CB 3.49Å; S64-W68 PolarHBondContact O-N 2.74Å; Y65-W68 HydrophobicContact CD2-CE3 4.15Å; Y65-W68 HydrophobicContact CE2-CE3 4.08Å; Y65-W68 HydrophobicContact CE2-CZ3 4.07Å; Y65-W68 PolarHBondContact O-N 2.95Å; W68-L80 HydrophobicContact CB-CD1 4.06Å; W68-L80 HydrophobicContact CG-CD1 4.43Å
69R92.9Very high92.1Very high114 Ų11457.7 Ų57.743%0.4329%0.287SS..Hα-helixtrans-69.8-41.2-178.7-171-166.470.3-171-1.5113.1Y65 L66 V67Y65-R69 WeakPolarHBondContact O-CB 3.22Å; Y65-R69 PolarHBondContact O-N 3.31Å; L66-R69 PolarHBondContact O-N 3.34Å; V67-R69 VanDerWaalsContact C-N 3.3Å; V67-R69 PolarHBondContact O-N 3.18Å
70D92.3Very high92Very high64 Ų6457.7 Ų57.734%0.34229%0.285SS..Hα-helixtrans-99.1-7.2-169.5-63.6-9.3000113.4L66 V67 I127 N128L66-D70 WeakPolarHBondContact O-CB 3.45Å; L66-D70 PolarHBondContact O-N 3.24Å; V67-D70 PolarHBondContact O-N 3.2Å; D70-I127 HydrophobicContact CB-CG2 4.38Å; D70-N128 PolarHBondContact OD2-ND2 3.36Å
71T88.2Confident91.9Very high12 Ų1260.4 Ų60.47%0.07431%0.307CS..SBendtrans-88132.9174.4-47.70000110.6V67 H73 K75 V76 I127V67-T71 VanDerWaalsContact O-CB 3.25Å; V67-T71 WeakPolarHBondContact O-CB 3.49Å; V67-T71 PolarHBondContact O-N 3.29Å; V67-T71 PolarHBondContact O-OG1 2.95Å; T71-H73 PolarHBondContact O-N 3.38Å; T71-K75 VanDerWaalsContact CG2-C 3.43Å; T71-K75 HydrophobicContact CG2-CB 3.7Å; T71-V76 HydrophobicContact CG2-CB 4.01Å; T71-V76 HydrophobicContact CG2-CG2 4.45Å; T71-I127 HydrophobicContact CG2-CD1 4.41Å; T71-I127 WeakPolarHBondContact OG1-CG2 3.47Å
72P85.9Confident91.9Very high85 Ų8562.4 Ų62.455%0.55232%0.319SS*.  trans-54.1140.1166.4-24.133.7000110.8E74 K75 V76P72-E74 PolarHBondContact O-N 2.93Å; P72-K75 PolarHBondContact O-N 3.01Å; P72-V76 PolarHBondContact O-N 3.13Å
73H80.1Confident91.9Very high161 Ų16161.5 Ų61.575%0.74531%0.31SS*.THydrogen-bonded Turntrans-50.2-32.9-174.6-70.9-65.4000114.1T71 K75 V76T71-H73 PolarHBondContact O-N 3.38Å; H73-K75 VanDerWaalsContact C-N 3.33Å; H73-K75 PolarHBondContact O-N 2.75Å; H73-V76 WeakPolarHBondContact O-CG1 3.47Å
74E82.7Confident91.9Very high183 Ų18362.8 Ų62.886%0.85532%0.322SS*.THydrogen-bonded Turntrans-69.2-25.5179.3-62.3172.8-170.300114.1P72P72-E74 PolarHBondContact O-N 2.93Å
75K86.5Confident92Very high150 Ų15065.6 Ų65.665%0.65235%0.346SS*.THydrogen-bonded Turntrans-108.3-6.3-173.8-64.6-175.8-178.2178.60113.5T71 P72 H73 M77 P79T71-K75 VanDerWaalsContact CG2-C 3.43Å; T71-K75 HydrophobicContact CG2-CB 3.7Å; P72-K75 PolarHBondContact O-N 3.01Å; H73-K75 VanDerWaalsContact C-N 3.33Å; H73-K75 PolarHBondContact O-N 2.75Å; K75-M77 VanDerWaalsContact C-N 3.28Å; K75-M77 PolarHBondContact O-N 2.96Å; K75-P79 WeakPolarHBondContact O-CD 3.25Å
76V88.7Confident92Very high14 Ų1465.2 Ų65.29%0.08535%0.345CS..SBendtrans-70.5-24.7-173.979.20000113.2T71 P72 H73 P79 L80T71-V76 HydrophobicContact CG2-CB 4.01Å; T71-V76 HydrophobicContact CG2-CG2 4.45Å; P72-V76 PolarHBondContact O-N 3.13Å; H73-V76 WeakPolarHBondContact O-CG1 3.47Å; V76-P79 WeakPolarHBondContact O-CD 3.39Å; V76-L80 HydrophobicContact CG2-CD1 3.6Å; V76-L80 HydrophobicContact CG2-CG 4.04Å; V76-L80 WeakPolarHBondContact O-CB 3.5Å; V76-L80 WeakPolarHBondContact O-CG 3.47Å; V76-L80 PolarHBondContact O-N 3.38Å
77M90.1Very high92.2Very high128 Ų12864.1 Ų64.163%0.63134%0.339SS*.Hα-helixtrans-64.4-46.4-171.5-75.2-52.8-41.200113.5K75 A81K75-M77 VanDerWaalsContact C-N 3.28Å; K75-M77 PolarHBondContact O-N 2.96Å; M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 3.23Å
78V93.3Very high92.3Very high99 Ų9969.3 Ų69.360%0.637%0.366SS*.Hα-helixtrans-66.7-51.4-174.91760000112L80 A81 V82V78-L80 PolarHBondContact O-N 3.21Å; V78-A81 PolarHBondContact O-N 2.93Å; V78-V82 WeakPolarHBondContact O-CG2 3.48Å; V78-V82 PolarHBondContact O-N 3.27Å
79P93.9Very high92.3Very high9 Ų967.9 Ų67.96%0.05837%0.365CS..Hα-helixtrans-59.3-42.6178.4-22.232.1000113.1V67 K75 V76 Y83 F124 I127V67-P79 HydrophobicContact CG1-CB 3.92Å; K75-P79 WeakPolarHBondContact O-CD 3.25Å; V76-P79 WeakPolarHBondContact O-CD 3.39Å; P79-Y83 WeakPolarHBondContact O-CB 3.37Å; P79-Y83 PolarHBondContact O-N 3.46Å; P79-F124 HydrophobicContact CB-CD1 4.16Å; P79-F124 HydrophobicContact CB-CE1 3.87Å; P79-I127 HydrophobicContact CB-CD1 3.97Å; P79-I127 HydrophobicContact CG-CD1 3.49Å; P79-I127 VanDerWaalsContact CG-CD1 3.49Å
80L94.5Very high92.6Very high36 Ų3662.8 Ų62.819%0.18835%0.346CS..Hα-helixtrans-73.9-32.3179.9-67.6-173.3000112.9V67 W68 V76 V78 Y83 G84V67-L80 HydrophobicContact CB-CD2 4.42Å; V67-L80 HydrophobicContact CG1-CD2 4.02Å; V67-L80 HydrophobicContact CG1-CG 4.43Å; W68-L80 HydrophobicContact CB-CD1 4.06Å; W68-L80 HydrophobicContact CG-CD1 4.43Å; V76-L80 HydrophobicContact CG2-CD1 3.6Å; V76-L80 HydrophobicContact CG2-CG 4.04Å; V76-L80 WeakPolarHBondContact O-CB 3.5Å; V76-L80 WeakPolarHBondContact O-CG 3.47Å; V76-L80 PolarHBondContact O-N 3.38Å; V78-L80 PolarHBondContact O-N 3.21Å; L80-Y83 PolarHBondContact O-N 2.93Å; L80-G84 PolarHBondContact O-N 2.83Å
81A95.6Very high92.8Very high56 Ų5662.9 Ų62.946%0.46334%0.341SS..Hα-helixtrans-66.2-42173.100000111.5M77 V78 G84 A85M77-A81 WeakPolarHBondContact O-CB 3.44Å; M77-A81 PolarHBondContact O-N 3.23Å; V78-A81 PolarHBondContact O-N 2.93Å; A81-G84 PolarHBondContact O-N 2.79Å; A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 2.96Å
82V96Very high93.2Very high42 Ų4264 Ų6426%0.25535%0.35SS..Hα-helixtrans-62-45.6174.2171.90000110.6V78 A85 Q86 T119 L123V78-V82 WeakPolarHBondContact O-CG2 3.48Å; V78-V82 PolarHBondContact O-N 3.27Å; V82-A85 PolarHBondContact O-N 3.22Å; V82-Q86 WeakPolarHBondContact O-CB 3.5Å; V82-Q86 PolarHBondContact O-N 3.4Å; V82-T119 HydrophobicContact CG1-CG2 3.81Å; V82-L123 HydrophobicContact CB-CD1 4.07Å; V82-L123 HydrophobicContact CG1-CD1 4.11Å; V82-L123 HydrophobicContact CG2-CD1 3.9Å
83Y97Very high93.7Very high10 Ų1062 Ų624%0.03933%0.331CS..Hα-helixtrans-59.3-45.6173.8170.5-98.9000112.4P16 M60 S64 P79 L80 Q86 L87 F124 M135P16-Y83 VanDerWaalsContact CG-OH 3.23Å; P16-Y83 WeakPolarHBondContact CG-OH 3.37Å; M60-Y83 HydrophobicContact CB-CE2 4.14Å; M60-Y83 HydrophobicContact CE-CE2 4.17Å; M60-Y83 PolarHBondContact O-OH 2.82Å; S64-Y83 PolarHBondContact OG-OH 3.42Å; P79-Y83 WeakPolarHBondContact O-CB 3.37Å; P79-Y83 PolarHBondContact O-N 3.46Å; L80-Y83 PolarHBondContact O-N 2.93Å; Y83-Q86 PolarHBondContact O-N 3.03Å; Y83-L87 HydrophobicContact CE1-CD2 4.27Å; Y83-L87 WeakPolarHBondContact O-CB 3.15Å; Y83-L87 PolarHBondContact O-N 3.36Å; Y83-F124 HydrophobicContact CD2-CZ 4.32Å; Y83-F124 HydrophobicContact CG-CZ 4.41Å; Y83-M135 HydrophobicContact CD2-CE 4.49Å
84G97Very high94.5Very high26 Ų2655.3 Ų55.327%0.26830%0.302SS..Hα-helixtrans-62.3-45.217800000112.5L80 A81 Q86 L87 L88L80-G84 PolarHBondContact O-N 2.83Å; A81-G84 PolarHBondContact O-N 2.79Å; G84-Q86 PolarHBondContact O-N 3.14Å; G84-L87 PolarHBondContact O-N 2.62Å; G84-L88 WeakPolarHBondContact O-CG 3.49Å; G84-L88 PolarHBondContact O-N 3.17Å
85A97.1Very high95.1Very high61 Ų6148.8 Ų48.850%0.50428%0.275SS..Hα-helixtrans-62.3-43.717600000111.9A81 V82 L87 L88 L89A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 2.96Å; V82-A85 PolarHBondContact O-N 3.22Å; A85-L87 VanDerWaalsContact C-N 3.32Å; A85-L87 PolarHBondContact O-N 2.9Å; A85-L88 PolarHBondContact O-N 3.33Å; A85-L89 PolarHBondContact O-N 3.3Å
86Q96.9Very high95.6Very high5 Ų542.8 Ų42.82%0.02325%0.251CS..Hα-helixtrans-60.5-42.3174.5-175.6-63.3-56.200110.7V82 Y83 G84 L89 N90 G116 Y138V82-Q86 WeakPolarHBondContact O-CB 3.5Å; V82-Q86 PolarHBondContact O-N 3.4Å; Y83-Q86 PolarHBondContact O-N 3.03Å; G84-Q86 PolarHBondContact O-N 3.14Å; Q86-L89 WeakPolarHBondContact O-CB 3.29Å; Q86-L89 PolarHBondContact O-N 3.03Å; Q86-N90 PolarHBondContact O-N 3.39Å; Q86-G116 VanDerWaalsContact CG-C 3.42Å; Q86-Y138 PolarHBondContact NE2-OH 3.01Å
87L97.2Very high95.9Very high4 Ų442.3 Ų42.32%0.02125%0.248CC..Hα-helixtrans-67.8-40179.2-176.960.7000112.3L15 P16 M60 Y83 G84 A85 L89 N90 W91L15-L87 HydrophobicContact CD2-CD2 4.03Å; L15-L87 HydrophobicContact CG-CD2 3.93Å; P16-L87 HydrophobicContact CB-CD1 4.09Å; P16-L87 HydrophobicContact CG-CD1 4.48Å; P16-L87 HydrophobicContact CG-CD2 4.38Å; M60-L87 HydrophobicContact CE-CD1 3.97Å; Y83-L87 HydrophobicContact CE1-CD2 4.27Å; Y83-L87 WeakPolarHBondContact O-CB 3.15Å; Y83-L87 PolarHBondContact O-N 3.36Å; G84-L87 PolarHBondContact O-N 2.62Å; A85-L87 VanDerWaalsContact C-N 3.32Å; A85-L87 PolarHBondContact O-N 2.9Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 PolarHBondContact O-N 3.22Å; L87-N90 HydrophobicContact CD1-CB 4.45Å; L87-N90 WeakPolarHBondContact O-CA 3.47Å; L87-N90 VanDerWaalsContact O-CB 3.29Å; L87-N90 WeakPolarHBondContact O-CB 3.45Å; L87-N90 PolarHBondContact O-N 3.43Å; L87-N90 VanDerWaalsContact O-N 3.09Å; L87-W91 HydrophobicContact CD1-CZ2 4.38Å; L87-W91 HydrophobicContact CD2-CH2 4.38Å; L87-W91 HydrophobicContact CD2-CZ2 3.74Å; L87-W91 HydrophobicContact CG-CD2 4.45Å; L87-W91 HydrophobicContact CG-CZ2 3.88Å; L87-W91 PolarHBondContact O-N 3.01Å
88L97Very high96.2Very high109 Ų10937 Ų3757%0.57122%0.221SC*.Hα-helixtrans-60.6-38.7172.5-71.1173.6000111.5G84 A85 N90 W91 S92G84-L88 WeakPolarHBondContact O-CG 3.49Å; G84-L88 PolarHBondContact O-N 3.17Å; A85-L88 PolarHBondContact O-N 3.33Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-W91 HydrophobicContact CD2-CE3 3.95Å; L88-W91 HydrophobicContact CD2-CZ3 4.07Å; L88-W91 PolarHBondContact O-N 3.44Å; L88-S92 PolarHBondContact O-N 3.35Å
89L96.2Very high96.3Very high57 Ų5734 Ų3430%0.29821%0.211SC..Hα-helixtrans-67.1-36174.5-160.764.9000111.7A85 Q86 L87 S92 W93 I109 I113A85-L89 PolarHBondContact O-N 3.3Å; Q86-L89 WeakPolarHBondContact O-CB 3.29Å; Q86-L89 PolarHBondContact O-N 3.03Å; L87-L89 VanDerWaalsContact C-N 3.26Å; L87-L89 PolarHBondContact O-N 3.22Å; L89-S92 PolarHBondContact O-N 3.09Å; L89-S92 PolarHBondContact O-OG 3.4Å; L89-W93 PolarHBondContact O-N 3.26Å; L89-I109 HydrophobicContact CD1-CG1 4.47Å; L89-I109 HydrophobicContact CD1-CG2 4.09Å; L89-I109 HydrophobicContact CG-CG2 4.01Å; L89-I109 WeakPolarHBondContact O-CG2 3.47Å; L89-I113 HydrophobicContact CB-CG1 4.23Å; L89-I113 HydrophobicContact CD2-CG1 4.25Å; L89-I113 HydrophobicContact CG-CG1 4.01Å
90N97.7Very high96.3Very high7 Ų738.7 Ų38.74%0.03723%0.232CC..Hα-helixtrans-60.9-46.2171.5-173.2-82000111.7W53 Y57 Q86 L87 L88 S92 W93 I113 Y138W53-N90 WeakPolarHBondContact CH2-ND2 3.42Å; W53-N90 VanDerWaalsContact CZ3-ND2 3.25Å; W53-N90 WeakPolarHBondContact CZ3-ND2 3.46Å; Y57-N90 WeakPolarHBondContact CE1-OD1 3.38Å; Y57-N90 PolarHBondContact OH-OD1 3.43Å; Q86-N90 PolarHBondContact O-N 3.39Å; L87-N90 HydrophobicContact CD1-CB 4.45Å; L87-N90 WeakPolarHBondContact O-CA 3.47Å; L87-N90 VanDerWaalsContact O-CB 3.29Å; L87-N90 WeakPolarHBondContact O-CB 3.45Å; L87-N90 PolarHBondContact O-N 3.43Å; L87-N90 VanDerWaalsContact O-N 3.09Å; L88-N90 VanDerWaalsContact C-N 3.33Å; N90-S92 VanDerWaalsContact C-N 3.33Å; N90-S92 PolarHBondContact O-N 2.92Å; N90-W93 WeakPolarHBondContact O-CB 3.33Å; N90-W93 PolarHBondContact O-N 2.89Å; N90-I113 HydrophobicContact CB-CD1 4.33Å; N90-Y138 PolarHBondContact ND2-OH 3.48Å; N90-Y138 VanDerWaalsContact ND2-OH 3.14Å
91W96.9Very high96.3Very high66 Ų6640.7 Ų40.725%0.2524%0.24CC..Hα-helixtrans-67.4-31.6179.4-65.7-7000113.5L15 P16 V18 G19 L87 L88 W93 P95L15-W91 HydrophobicContact CD1-CH2 3.88Å; L15-W91 HydrophobicContact CD1-CZ2 4.26Å; L15-W91 HydrophobicContact CG-CH2 4.4Å; L15-W91 HydrophobicContact CG-CZ2 4.38Å; L15-W91 VanDerWaalsContact O-CZ2 3.25Å; L15-W91 WeakPolarHBondContact O-CZ2 3.37Å; P16-W91 PolarHBondContact O-NE1 2.92Å; V18-W91 HydrophobicContact CB-CH2 4.36Å; V18-W91 HydrophobicContact CB-CZ2 4.13Å; G19-W91 VanDerWaalsContact CA-CD1 3.49Å; L87-W91 HydrophobicContact CD1-CZ2 4.38Å; L87-W91 HydrophobicContact CD2-CH2 4.38Å; L87-W91 HydrophobicContact CD2-CZ2 3.74Å; L87-W91 HydrophobicContact CG-CD2 4.45Å; L87-W91 HydrophobicContact CG-CZ2 3.88Å; L87-W91 PolarHBondContact O-N 3.01Å; L88-W91 HydrophobicContact CD2-CE3 3.95Å; L88-W91 HydrophobicContact CD2-CZ3 4.07Å; L88-W91 PolarHBondContact O-N 3.44Å; W91-W93 VanDerWaalsContact C-N 3.3Å; W91-W93 PolarHBondContact O-N 3.33Å; W91-P95 WeakPolarHBondContact O-CD 3.31Å
92S96.7Very high96.3Very high36 Ų3642.5 Ų42.525%0.25224%0.238SC..Hα-helixtrans-74.2-20.1179.473.50000113.4L88 L89 N90 T94 P95 V96L88-S92 PolarHBondContact O-N 3.35Å; L89-S92 PolarHBondContact O-N 3.09Å; L89-S92 PolarHBondContact O-OG 3.4Å; N90-S92 VanDerWaalsContact C-N 3.33Å; N90-S92 PolarHBondContact O-N 2.92Å; S92-T94 PolarHBondContact O-N 3.47Å; S92-P95 VanDerWaalsContact O-CD 3.28Å; S92-P95 WeakPolarHBondContact O-CD 3.46Å; S92-P95 VanDerWaalsContact O-CG 3.31Å; S92-P95 WeakPolarHBondContact O-CG 3.19Å; S92-V96 WeakPolarHBondContact O-CB 3.09Å; S92-V96 VanDerWaalsContact O-CG2 3.27Å; S92-V96 WeakPolarHBondContact O-CG2 3.48Å; S92-V96 PolarHBondContact O-N 3.46Å
93W97.1Very high96.2Very high42 Ų4241.6 Ų41.616%0.15923%0.231CC..Hα-helixtrans-60.3-48.4-178.8-175.887.9000112.7L89 N90 W91 V96 F97 F98 G106 I109 I113L89-W93 PolarHBondContact O-N 3.26Å; N90-W93 WeakPolarHBondContact O-CB 3.33Å; N90-W93 PolarHBondContact O-N 2.89Å; W91-W93 VanDerWaalsContact C-N 3.3Å; W91-W93 PolarHBondContact O-N 3.33Å; W93-V96 PolarHBondContact O-N 3.36Å; W93-F97 HydrophobicContact CD2-CB 4.21Å; W93-F97 HydrophobicContact CH2-CB 4.3Å; W93-F97 AromaticContact CH2-CD1 3.87Å; W93-F97 HydrophobicContact CH2-CD1 3.87Å; W93-F97 HydrophobicContact CH2-CE1 4.38Å; W93-F97 HydrophobicContact CH2-CG 4.02Å; W93-F97 HydrophobicContact CZ2-CB 3.97Å; W93-F97 AromaticContact CZ2-CD1 3.93Å; W93-F97 HydrophobicContact CZ2-CD1 3.93Å; W93-F97 AromaticContact CZ2-CD2 3.9Å; W93-F97 HydrophobicContact CZ2-CD2 3.9Å; W93-F97 HydrophobicContact CZ2-CE1 4.43Å; W93-F97 HydrophobicContact CZ2-CE2 4.38Å; W93-F97 AromaticContact CZ2-CG 3.65Å; W93-F97 HydrophobicContact CZ2-CG 3.65Å; W93-F97 VanDerWaalsContact O-CB 3.3Å; W93-F97 WeakPolarHBondContact O-CB 3.46Å; W93-F97 PolarHBondContact O-N 3.06Å; W93-F98 HydrophobicContact CH2-CD2 4.21Å; W93-F98 AromaticContact CH2-CE2 3.7Å; W93-F98 HydrophobicContact CH2-CE2 3.7Å; W93-F98 AromaticContact CZ3-CD2 3.9Å; W93-F98 HydrophobicContact CZ3-CD2 3.9Å; W93-F98 AromaticContact CZ3-CE2 3.61Å; W93-F98 HydrophobicContact CZ3-CE2 3.61Å; W93-G106 PolarHBondContact NE1-O 3.4Å; W93-I109 HydrophobicContact CB-CG2 3.75Å; W93-I109 HydrophobicContact CG-CG2 4.27Å; W93-I113 HydrophobicContact CB-CD1 4Å; W93-I113 HydrophobicContact CG-CD1 4.41Å
94T96.1Very high96.2Very high22 Ų2246.5 Ų46.514%0.13525%0.253CS..Hα-helixtrans-59.3-53.9-178.5-62.10000113.3I26 V27 S92 V96 F98 G99I26-T94 HydrophobicContact CB-CG2 4.25Å; I26-T94 HydrophobicContact CG2-CG2 4.35Å; V27-T94 HydrophobicContact CG2-CG2 3.61Å; S92-T94 PolarHBondContact O-N 3.47Å; T94-V96 VanDerWaalsContact C-N 3.29Å; T94-V96 PolarHBondContact O-N 2.93Å; T94-F98 HydrophobicContact CG2-CD2 4.47Å; T94-F98 WeakPolarHBondContact O-CA 3.41Å; T94-F98 WeakPolarHBondContact O-CB 3.47Å; T94-F98 PolarHBondContact O-N 2.95Å; T94-G99 PolarHBondContact O-N 3.34Å
95P96.2Very high96.1Very high45 Ų4551.9 Ų51.929%0.29227%0.266SS..Iπ-helixtrans-64.1-30.917823.5-32.4000113.1I26 W91 S92 G99 Q100I26-P95 HydrophobicContact CD1-CB 3.97Å; W91-P95 WeakPolarHBondContact O-CD 3.31Å; S92-P95 VanDerWaalsContact O-CD 3.28Å; S92-P95 WeakPolarHBondContact O-CD 3.46Å; S92-P95 VanDerWaalsContact O-CG 3.31Å; S92-P95 WeakPolarHBondContact O-CG 3.19Å; P95-G99 CarbonylContact O-C 3.34Å; P95-G99 WeakPolarHBondContact O-CA 3.41Å; P95-G99 PolarHBondContact O-N 2.95Å; P95-Q100 PolarHBondContact O-N 3.28Å
96V96.1Very high96.1Very high24 Ų2449 Ų4915%0.14524%0.242CC..Iπ-helixtrans-75.6-50177.9173.30000111.6S92 W93 T94 Q100 K102 I109S92-V96 WeakPolarHBondContact O-CB 3.09Å; S92-V96 VanDerWaalsContact O-CG2 3.27Å; S92-V96 WeakPolarHBondContact O-CG2 3.48Å; S92-V96 PolarHBondContact O-N 3.46Å; W93-V96 PolarHBondContact O-N 3.36Å; T94-V96 VanDerWaalsContact C-N 3.29Å; T94-V96 PolarHBondContact O-N 2.93Å; V96-Q100 WeakPolarHBondContact O-CB 3.34Å; V96-Q100 PolarHBondContact O-N 3.35Å; V96-K102 HydrophobicContact CG1-CB 4.07Å; V96-K102 PolarHBondContact O-N 2.98Å; V96-I109 HydrophobicContact CB-CD1 3.7Å; V96-I109 HydrophobicContact CG1-CD1 3.71Å; V96-I109 HydrophobicContact CG2-CD1 3.69Å
97F96.2Very high96Very high5 Ų549 Ų492%0.02224%0.243CC..Iπ-helixtrans-72.7-57-177.2-172.9-85.7000111.6W33 Y34 L37 W93 H101 I103 V152W33-F97 HydrophobicContact CH2-CD1 4.18Å; W33-F97 AromaticContact CH2-CE1 3.97Å; W33-F97 HydrophobicContact CH2-CE1 3.97Å; W33-F97 HydrophobicContact CH2-CZ 4.44Å; W33-F97 WeakPolarHBondContact CH2-O 3.26Å; W33-F97 HydrophobicContact CZ3-CD1 4.14Å; W33-F97 AromaticContact CZ3-CE1 3.96Å; W33-F97 HydrophobicContact CZ3-CE1 3.96Å; W33-F97 WeakPolarHBondContact CZ3-O 3.49Å; Y34-F97 AromaticContact CD2-CE1 3.96Å; Y34-F97 HydrophobicContact CD2-CE1 3.96Å; Y34-F97 AromaticContact CE2-CE1 3.99Å; Y34-F97 HydrophobicContact CE2-CE1 3.99Å; Y34-F97 HydrophobicContact CE2-CZ 4.39Å; L37-F97 HydrophobicContact CD1-CE1 4.43Å; L37-F97 HydrophobicContact CD1-CZ 4.2Å; W93-F97 HydrophobicContact CD2-CB 4.21Å; W93-F97 HydrophobicContact CH2-CB 4.3Å; W93-F97 AromaticContact CH2-CD1 3.87Å; W93-F97 HydrophobicContact CH2-CD1 3.87Å; W93-F97 HydrophobicContact CH2-CE1 4.38Å; W93-F97 HydrophobicContact CH2-CG 4.02Å; W93-F97 HydrophobicContact CZ2-CB 3.97Å; W93-F97 AromaticContact CZ2-CD1 3.93Å; W93-F97 HydrophobicContact CZ2-CD1 3.93Å; W93-F97 AromaticContact CZ2-CD2 3.9Å; W93-F97 HydrophobicContact CZ2-CD2 3.9Å; W93-F97 HydrophobicContact CZ2-CE1 4.43Å; W93-F97 HydrophobicContact CZ2-CE2 4.38Å; W93-F97 AromaticContact CZ2-CG 3.65Å; W93-F97 HydrophobicContact CZ2-CG 3.65Å; W93-F97 VanDerWaalsContact O-CB 3.3Å; W93-F97 WeakPolarHBondContact O-CB 3.46Å; W93-F97 PolarHBondContact O-N 3.06Å; F97-H101 VanDerWaalsContact O-CA 3.28Å; F97-H101 WeakPolarHBondContact O-CA 3.4Å; F97-H101 PolarHBondContact O-N 3.14Å; F97-I103 HydrophobicContact CE2-CB 4.4Å; F97-I103 HydrophobicContact CE2-CG2 3.9Å; F97-V152 HydrophobicContact CZ-CG1 4.38Å
98F95.6Very high96Very high15 Ų1554.7 Ų54.77%0.06627%0.271CS..Iπ-helixtrans-83.6-35.8-178.4-77.3-85.2000113.1I26 V27 N30 W33 Y34 W93 T94 H101I26-F98 HydrophobicContact CG2-CB 3.88Å; V27-F98 HydrophobicContact CG1-CE1 4.32Å; V27-F98 HydrophobicContact CG1-CZ 4.31Å; V27-F98 HydrophobicContact CG2-CD2 3.96Å; V27-F98 HydrophobicContact CG2-CE2 4.16Å; V27-F98 HydrophobicContact CG2-CG 4.24Å; N30-F98 HydrophobicContact CB-CB 4.21Å; N30-F98 HydrophobicContact CB-CD1 4Å; N30-F98 WeakPolarHBondContact CB-O 3.25Å; N30-F98 PolarHBondContact ND2-O 3.06Å; N30-F98 PolarHBondContact OD1-O 3.1Å; W33-F98 HydrophobicContact CE3-CD1 4.35Å; W33-F98 HydrophobicContact CZ3-CD1 4.1Å; Y34-F98 AromaticContact CD2-CE1 3.77Å; Y34-F98 HydrophobicContact CD2-CE1 3.77Å; Y34-F98 AromaticContact CD2-CZ 3.88Å; Y34-F98 HydrophobicContact CD2-CZ 3.88Å; Y34-F98 HydrophobicContact CE2-CZ 4.21Å; Y34-F98 AromaticContact CG-CE1 3.84Å; Y34-F98 HydrophobicContact CG-CE1 3.84Å; Y34-F98 HydrophobicContact CG-CZ 4.23Å; W93-F98 HydrophobicContact CH2-CD2 4.21Å; W93-F98 AromaticContact CH2-CE2 3.7Å; W93-F98 HydrophobicContact CH2-CE2 3.7Å; W93-F98 AromaticContact CZ3-CD2 3.9Å; W93-F98 HydrophobicContact CZ3-CD2 3.9Å; W93-F98 AromaticContact CZ3-CE2 3.61Å; W93-F98 HydrophobicContact CZ3-CE2 3.61Å; T94-F98 HydrophobicContact CG2-CD2 4.47Å; T94-F98 WeakPolarHBondContact O-CA 3.41Å; T94-F98 WeakPolarHBondContact O-CB 3.47Å; T94-F98 PolarHBondContact O-N 2.95Å; F98-H101 PolarHBondContact O-CD2 2.96Å; F98-H101 PolarHBondContact O-NE2 3.43Å
99G94.5Very high96Very high38 Ų3850.7 Ų50.739%0.39225%0.25SC..Iπ-helixtrans-81.4-38.8-174.300000114.2T94 P95T94-G99 PolarHBondContact O-N 3.34Å; P95-G99 CarbonylContact O-C 3.34Å; P95-G99 WeakPolarHBondContact O-CA 3.41Å; P95-G99 PolarHBondContact O-N 2.95Å
100Q94.8Very high96.1Very high106 Ų10648.1 Ų48.150%0.49524%0.237SC..SBendtrans-104.5-1.5-179.3-59.1177.721.300113.1P95 V96 K102P95-Q100 PolarHBondContact O-N 3.28Å; V96-Q100 WeakPolarHBondContact O-CB 3.34Å; V96-Q100 PolarHBondContact O-N 3.35Å; Q100-K102 HydrophobicContact CB-CB 4.36Å; Q100-K102 HydrophobicContact CB-CD 4.19Å; Q100-K102 HydrophobicContact CB-CG 3.96Å; Q100-K102 PolarHBondContact O-N 3Å
101H94.8Very high96.1Very high78 Ų7852 Ų5236%0.36126%0.257SS..  trans54.323.6-174.6-55.8159000113.7N30 W33 F97 F98 I103N30-H101 PolarHBondContact OD1-NE2 2.91Å; W33-H101 AromaticContact CD1-CE1 3.92Å; W33-H101 AromaticContact CD1-ND1 3.89Å; W33-H101 AromaticContact CD2-CD2 3.37Å; W33-H101 AromaticContact CD2-CG 3.84Å; W33-H101 AromaticContact CD2-NE2 3.61Å; W33-H101 AromaticContact CE2-CD2 3.44Å; W33-H101 VanDerWaalsContact CE2-CD2 3.44Å; W33-H101 AromaticContact CE2-CG 3.45Å; W33-H101 VanDerWaalsContact CE2-CG 3.45Å; W33-H101 AromaticContact CE3-CD2 3.59Å; W33-H101 AromaticContact CE3-NE2 3.93Å; W33-H101 AromaticContact CG-CD2 3.91Å; W33-H101 AromaticContact CG-CE1 3.85Å; W33-H101 AromaticContact CG-NE2 3.69Å; W33-H101 HydrophobicContact CH2-CB 4.21Å; W33-H101 AromaticContact CH2-CD2 3.92Å; W33-H101 HydrophobicContact CZ2-CB 3.51Å; W33-H101 AromaticContact CZ2-CD2 3.73Å; W33-H101 AromaticContact CZ2-CG 3.72Å; W33-H101 AromaticContact CZ3-CD2 3.86Å; W33-H101 AromaticContact NE1-CD2 3.96Å; W33-H101 AromaticContact NE1-CG 3.61Å; W33-H101 AromaticContact NE1-ND1 3.79Å; F97-H101 VanDerWaalsContact O-CA 3.28Å; F97-H101 WeakPolarHBondContact O-CA 3.4Å; F97-H101 PolarHBondContact O-N 3.14Å; F98-H101 PolarHBondContact O-CD2 2.96Å; F98-H101 PolarHBondContact O-NE2 3.43Å; H101-I103 PolarHBondContact O-N 2.91Å
102K94.9Very high96.1Very high95 Ų9550.3 Ų50.341%0.41326%0.26SS..  trans-86.376.1-177.4-77-172.6-175.8169.90110.9V96 Q100 K104 Y105 G106V96-K102 HydrophobicContact CG1-CB 4.07Å; V96-K102 PolarHBondContact O-N 2.98Å; Q100-K102 HydrophobicContact CB-CB 4.36Å; Q100-K102 HydrophobicContact CB-CD 4.19Å; Q100-K102 HydrophobicContact CB-CG 3.96Å; Q100-K102 PolarHBondContact O-N 3Å; K102-K104 PolarHBondContact O-N 3.19Å; K102-Y105 HydrophobicContact CB-CD2 3.9Å; K102-Y105 HydrophobicContact CB-CG 4.43Å; K102-Y105 HydrophobicContact CD-CD2 3.76Å; K102-Y105 HydrophobicContact CD-CE2 4.19Å; K102-Y105 HydrophobicContact CD-CG 4.43Å; K102-Y105 HydrophobicContact CG-CD2 4.15Å; K102-Y105 PolarHBondContact O-N 3.44Å; K102-G106 PolarHBondContact O-N 3.11Å
103I95.3Very high96.2Very high22 Ų2248.7 Ų48.711%0.11325%0.249CC..Hα-helixtrans-56.2-48.3-172.7-55.1175.9000112.1W33 L37 F97 H101 Y105 G106 A107 V152 A153 N156W33-I103 HydrophobicContact CH2-CG1 4.23Å; W33-I103 HydrophobicContact CZ2-CD1 4.2Å; W33-I103 HydrophobicContact CZ2-CG1 3.98Å; L37-I103 HydrophobicContact CD1-CD1 4.17Å; L37-I103 HydrophobicContact CD2-CD1 3.59Å; F97-I103 HydrophobicContact CE2-CB 4.4Å; F97-I103 HydrophobicContact CE2-CG2 3.9Å; H101-I103 PolarHBondContact O-N 2.91Å; I103-Y105 PolarHBondContact O-N 3.14Å; I103-G106 PolarHBondContact O-N 2.81Å; I103-A107 PolarHBondContact O-N 2.97Å; I103-V152 HydrophobicContact CG2-CB 4.43Å; I103-V152 HydrophobicContact CG2-CG1 3.8Å; I103-A153 HydrophobicContact CG2-CB 3.92Å; I103-N156 HydrophobicContact CD1-CB 3.94Å
104K95.3Very high96.2Very high113 Ų11348.6 Ų48.649%0.49125%0.251SS..Hα-helixtrans-59.6-46.6178.8-68.4-175.7-179.4178.50112.7K102 G106 A107 M108 A153 D157K102-K104 PolarHBondContact O-N 3.19Å; K104-G106 VanDerWaalsContact C-N 3.35Å; K104-A107 WeakPolarHBondContact O-CB 3.47Å; K104-A107 PolarHBondContact O-N 3.35Å; K104-M108 WeakPolarHBondContact O-CG 3.44Å; K104-M108 PolarHBondContact O-N 3.32Å; K104-A153 HydrophobicContact CG-CB 4.29Å; K104-D157 WeakPolarHBondContact CE-OD1 3.39Å; K104-D157 IonicContact NZ-OD1 2.57Å; K104-D157 PolarHBondContact NZ-OD1 3.36Å; K104-D157 IonicContact NZ-OD2 3.74Å
105Y95.7Very high96.3Very high139 Ų13949.2 Ų49.255%0.54526%0.262SS..Hα-helixtrans-66.7-38.2178.6-69.6-81.3000111.5K102 I103 A107 M108 I109K102-Y105 HydrophobicContact CB-CD2 3.9Å; K102-Y105 HydrophobicContact CB-CG 4.43Å; K102-Y105 HydrophobicContact CD-CD2 3.76Å; K102-Y105 HydrophobicContact CD-CE2 4.19Å; K102-Y105 HydrophobicContact CD-CG 4.43Å; K102-Y105 HydrophobicContact CG-CD2 4.15Å; K102-Y105 PolarHBondContact O-N 3.44Å; I103-Y105 PolarHBondContact O-N 3.14Å; Y105-A107 VanDerWaalsContact C-N 3.3Å; Y105-A107 PolarHBondContact O-N 3.37Å; Y105-M108 HydrophobicContact CD1-SD 4.44Å; Y105-M108 PolarHBondContact O-N 3.42Å; Y105-I109 VanDerWaalsContact O-CG1 3.28Å; Y105-I109 WeakPolarHBondContact O-CG1 3.28Å; Y105-I109 PolarHBondContact O-N 2.93Å
106G96.3Very high96.4Very high0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-60.7-38.8172.100000112.4W93 K102 I103 K104 I109 N110W93-G106 PolarHBondContact NE1-O 3.4Å; K102-G106 PolarHBondContact O-N 3.11Å; I103-G106 PolarHBondContact O-N 2.81Å; K104-G106 VanDerWaalsContact C-N 3.35Å; G106-I109 PolarHBondContact O-N 3.41Å; G106-N110 WeakPolarHBondContact O-CB 3.48Å; G106-N110 PolarHBondContact O-N 2.92Å
107A96.4Very high96.5Very high5 Ų546.7 Ų46.74%0.04125%0.249CC..Hα-helixtrans-64.5-42.7173.500000112.6I103 K104 Y105 N110 L111 V150 A153I103-A107 PolarHBondContact O-N 2.97Å; K104-A107 WeakPolarHBondContact O-CB 3.47Å; K104-A107 PolarHBondContact O-N 3.35Å; Y105-A107 VanDerWaalsContact C-N 3.3Å; Y105-A107 PolarHBondContact O-N 3.37Å; A107-N110 PolarHBondContact O-N 2.93Å; A107-L111 PolarHBondContact O-N 2.84Å; A107-V150 HydrophobicContact CB-CG2 4.24Å; A107-A153 HydrophobicContact CB-CB 4.28Å
108M96.9Very high96.6Very high124 Ų12450.1 Ų50.161%0.61127%0.27SS*.Hα-helixtrans-62.3-43.9174.9-67.9175.268.500112.3K104 Y105 N110 L111 G112K104-M108 WeakPolarHBondContact O-CG 3.44Å; K104-M108 PolarHBondContact O-N 3.32Å; Y105-M108 HydrophobicContact CD1-SD 4.44Å; Y105-M108 PolarHBondContact O-N 3.42Å; M108-N110 VanDerWaalsContact C-N 3.28Å; M108-N110 PolarHBondContact O-N 3.3Å; M108-L111 PolarHBondContact O-N 3.21Å; M108-G112 PolarHBondContact O-N 3.06Å
109I97.4Very high96.6Very high25 Ų2552.4 Ų52.413%0.12829%0.285CS..Hα-helixtrans-58.7-44.5174.6-70.7168.9000109.6L89 W93 V96 Y105 G106 L111 G112 I113L89-I109 HydrophobicContact CD1-CG1 4.47Å; L89-I109 HydrophobicContact CD1-CG2 4.09Å; L89-I109 HydrophobicContact CG-CG2 4.01Å; L89-I109 WeakPolarHBondContact O-CG2 3.47Å; W93-I109 HydrophobicContact CB-CG2 3.75Å; W93-I109 HydrophobicContact CG-CG2 4.27Å; V96-I109 HydrophobicContact CB-CD1 3.7Å; V96-I109 HydrophobicContact CG1-CD1 3.71Å; V96-I109 HydrophobicContact CG2-CD1 3.69Å; Y105-I109 VanDerWaalsContact O-CG1 3.28Å; Y105-I109 WeakPolarHBondContact O-CG1 3.28Å; Y105-I109 PolarHBondContact O-N 2.93Å; G106-I109 PolarHBondContact O-N 3.41Å; I109-L111 VanDerWaalsContact C-N 3.33Å; I109-L111 PolarHBondContact O-N 3.18Å; I109-G112 CarbonylContact O-C 3.58Å; I109-G112 WeakPolarHBondContact O-CA 3.42Å; I109-G112 PolarHBondContact O-N 2.93Å; I109-G112 VanDerWaalsContact O-N 3.09Å; I109-I113 HydrophobicContact CG2-CD1 3.92Å; I109-I113 HydrophobicContact CG2-CG1 4.3Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.41Å; I109-I113 PolarHBondContact O-N 3.32Å
110N96.8Very high96.8Very high4 Ų450.6 Ų50.62%0.02127%0.267CS..Hα-helixtrans-64.5-35.3179.9-154.983.1000113.3G106 A107 M108 I113 L114 T142 S146G106-N110 WeakPolarHBondContact O-CB 3.48Å; G106-N110 PolarHBondContact O-N 2.92Å; A107-N110 PolarHBondContact O-N 2.93Å; M108-N110 VanDerWaalsContact C-N 3.28Å; M108-N110 PolarHBondContact O-N 3.3Å; N110-I113 WeakPolarHBondContact O-CB 3.35Å; N110-I113 PolarHBondContact O-N 3.44Å; N110-L114 PolarHBondContact O-N 3.37Å; N110-T142 PolarHBondContact ND2-O 3.41Å; N110-T142 VanDerWaalsContact ND2-O 3.13Å; N110-S146 WeakPolarHBondContact ND2-CA 3.39Å; N110-S146 PolarHBondContact ND2-N 2.83Å; N110-S146 PolarHBondContact ND2-OG 3.46Å; N110-S146 PolarHBondContact O-OG 2.93Å
111L97.7Very high96.9Very high87 Ų8746.9 Ų46.946%0.45525%0.251SS..Hα-helixtrans-65-40.2170.8-71.7169.4000112.1A107 M108 I109 L114 G115 V150A107-L111 PolarHBondContact O-N 2.84Å; M108-L111 PolarHBondContact O-N 3.21Å; I109-L111 VanDerWaalsContact C-N 3.33Å; I109-L111 PolarHBondContact O-N 3.18Å; L111-L114 WeakPolarHBondContact O-CB 3.05Å; L111-L114 PolarHBondContact O-N 3.3Å; L111-G115 PolarHBondContact O-N 3.47Å; L111-V150 HydrophobicContact CD1-CG2 4.27Å
112G97.8Very high97Very high32 Ų3252 Ų5233%0.3327%0.269SS..Hα-helixtrans-66.2-36.8173.900000112.7M108 I109 G115 G116M108-G112 PolarHBondContact O-N 3.06Å; I109-G112 CarbonylContact O-C 3.58Å; I109-G112 WeakPolarHBondContact O-CA 3.42Å; I109-G112 PolarHBondContact O-N 2.93Å; I109-G112 VanDerWaalsContact O-N 3.09Å; G112-G115 PolarHBondContact O-N 2.81Å; G112-G116 PolarHBondContact O-N 2.83Å
113I97.8Very high97.1Very high2 Ų249.4 Ų49.41%0.0126%0.259CS..Hα-helixtrans-59.8-47.7172.7-70.5169.8000109.9L89 N90 W93 I109 N110 G116 A117 Y138 T142L89-I113 HydrophobicContact CB-CG1 4.23Å; L89-I113 HydrophobicContact CD2-CG1 4.25Å; L89-I113 HydrophobicContact CG-CG1 4.01Å; N90-I113 HydrophobicContact CB-CD1 4.33Å; W93-I113 HydrophobicContact CB-CD1 4Å; W93-I113 HydrophobicContact CG-CD1 4.41Å; I109-I113 HydrophobicContact CG2-CD1 3.92Å; I109-I113 HydrophobicContact CG2-CG1 4.3Å; I109-I113 VanDerWaalsContact O-CG1 3.29Å; I109-I113 WeakPolarHBondContact O-CG1 3.41Å; I109-I113 PolarHBondContact O-N 3.32Å; N110-I113 WeakPolarHBondContact O-CB 3.35Å; N110-I113 PolarHBondContact O-N 3.44Å; I113-G116 PolarHBondContact O-N 2.96Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 2.89Å; I113-Y138 HydrophobicContact CG2-CE2 4.48Å; I113-Y138 WeakPolarHBondContact CG2-OH 3.28Å; I113-T142 HydrophobicContact CG2-CG2 3.54Å
114L98.2Very high97.1Very high39 Ų3948.4 Ų48.420%0.20425%0.254CS..Hα-helixtrans-58-48.4175169.362.1000111.2N110 L111 G116 A117 V118 A139 A143N110-L114 PolarHBondContact O-N 3.37Å; L111-L114 WeakPolarHBondContact O-CB 3.05Å; L111-L114 PolarHBondContact O-N 3.3Å; L114-G116 PolarHBondContact O-N 3.19Å; L114-A117 PolarHBondContact O-N 2.91Å; L114-V118 HydrophobicContact CD1-CG2 3.96Å; L114-V118 WeakPolarHBondContact O-CG2 3.5Å; L114-V118 PolarHBondContact O-N 3.21Å; L114-A139 WeakPolarHBondContact CD1-O 3.14Å; L114-A143 HydrophobicContact CD1-CB 3.82Å; L114-A143 HydrophobicContact CD2-CB 4.21Å
115G98Very high97.1Very high36 Ų3651 Ų5137%0.37126%0.261SS..Hα-helixtrans-54.4-52.1176.700000111.6L111 G112 A117 V118 T119L111-G115 PolarHBondContact O-N 3.47Å; G112-G115 PolarHBondContact O-N 2.81Å; G115-A117 VanDerWaalsContact C-N 3.34Å; G115-A117 PolarHBondContact O-N 3.08Å; G115-V118 PolarHBondContact O-N 2.71Å; G115-T119 PolarHBondContact O-N 3.4Å; G115-T119 PolarHBondContact O-OG1 2.96Å
116G97.6Very high97Very high15 Ų1549.6 Ų49.616%0.15527%0.271CS..Hα-helixtrans-64-35.4177.600000113.6Q86 G112 I113 L114 T119 C120Q86-G116 VanDerWaalsContact CG-C 3.42Å; G112-G116 PolarHBondContact O-N 2.83Å; I113-G116 PolarHBondContact O-N 2.96Å; L114-G116 PolarHBondContact O-N 3.19Å; G116-T119 PolarHBondContact O-N 3.09Å; G116-C120 PolarHBondContact O-N 3.4Å; G116-C120 PolarHBondContact O-SG 3.29Å
117A97.9Very high96.9Very high0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-63.7-46.3175.700000111.4I113 L114 G115 C120 V121 Y138 A139I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 2.89Å; L114-A117 PolarHBondContact O-N 2.91Å; G115-A117 VanDerWaalsContact C-N 3.34Å; G115-A117 PolarHBondContact O-N 3.08Å; A117-C120 WeakPolarHBondContact O-CB 3.3Å; A117-C120 PolarHBondContact O-N 3.08Å; A117-V121 WeakPolarHBondContact O-CG2 3.32Å; A117-V121 PolarHBondContact O-N 3.35Å; A117-Y138 HydrophobicContact CB-CD1 3.67Å; A117-Y138 HydrophobicContact CB-CE1 3.58Å; A117-A139 HydrophobicContact CB-CB 4.24Å
118V98.1Very high96.8Very high78 Ų7852.1 Ų52.147%0.47328%0.283SS..Hα-helixtrans-63.4-41.6175.4173.20000111.1L114 G115 C120 V121 Y122 A139L114-V118 HydrophobicContact CD1-CG2 3.96Å; L114-V118 WeakPolarHBondContact O-CG2 3.5Å; L114-V118 PolarHBondContact O-N 3.21Å; G115-V118 PolarHBondContact O-N 2.71Å; V118-C120 VanDerWaalsContact C-N 3.31Å; V118-C120 PolarHBondContact O-N 3.43Å; V118-V121 WeakPolarHBondContact O-CB 3.27Å; V118-V121 PolarHBondContact O-N 3.48Å; V118-Y122 PolarHBondContact O-N 2.84Å; V118-A139 HydrophobicContact CG2-CB 4.33Å
119T97.5Very high96.8Very high62 Ų6250 Ų5038%0.3827%0.274SS..Hα-helixtrans-60.2-41.8174.2-52.30000111.4V82 G115 G116 Y122 L123V82-T119 HydrophobicContact CG1-CG2 3.81Å; G115-T119 PolarHBondContact O-N 3.4Å; G115-T119 PolarHBondContact O-OG1 2.96Å; G116-T119 PolarHBondContact O-N 3.09Å; T119-Y122 PolarHBondContact O-N 2.73Å; T119-L123 HydrophobicContact CG2-CD1 3.85Å; T119-L123 HydrophobicContact CG2-CG 4.17Å; T119-L123 WeakPolarHBondContact O-CB 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.28Å; T119-L123 PolarHBondContact O-N 2.59Å
120C97.3Very high96.7Very high0 Ų053.4 Ų53.40%029%0.292CS..Hα-helixtrans-63.2-43.7174.9-67.50000111.9G116 A117 V118 Y122 L123 F124 M135G116-C120 PolarHBondContact O-N 3.4Å; G116-C120 PolarHBondContact O-SG 3.29Å; A117-C120 WeakPolarHBondContact O-CB 3.3Å; A117-C120 PolarHBondContact O-N 3.08Å; V118-C120 VanDerWaalsContact C-N 3.31Å; V118-C120 PolarHBondContact O-N 3.43Å; C120-Y122 VanDerWaalsContact C-N 3.27Å; C120-Y122 PolarHBondContact O-N 2.91Å; C120-L123 PolarHBondContact O-N 3.07Å; C120-F124 HydrophobicContact CB-CE1 4.4Å; C120-F124 HydrophobicContact CB-CE2 4.3Å; C120-F124 HydrophobicContact CB-CZ 4.24Å; C120-F124 WeakPolarHBondContact O-CB 3.5Å; C120-F124 WeakPolarHBondContact O-CD1 3.3Å; C120-F124 WeakPolarHBondContact O-CG 3.47Å; C120-F124 PolarHBondContact O-N 3.12Å; C120-M135 HydrophobicContact CB-CE 3.48Å; C120-M135 VanDerWaalsContact CB-CE 3.48Å; C120-M135 HydrophobicContact CB-CG 4.49Å
121V97.7Very high96.7Very high29 Ų2953.2 Ų53.218%0.17629%0.291CS..Hα-helixtrans-54.9-46.1175.2172.10000110.5A117 V118 R125 S132 M135 I136 A139A117-V121 WeakPolarHBondContact O-CG2 3.32Å; A117-V121 PolarHBondContact O-N 3.35Å; V118-V121 WeakPolarHBondContact O-CB 3.27Å; V118-V121 PolarHBondContact O-N 3.48Å; V121-R125 WeakPolarHBondContact O-CB 3.45Å; V121-R125 PolarHBondContact O-N 3.31Å; V121-S132 PolarHBondContact O-OG 3.35Å; V121-M135 HydrophobicContact CG2-CB 3.58Å; V121-I136 HydrophobicContact CG1-CG1 4.13Å; V121-I136 HydrophobicContact CG2-CG1 4.36Å; V121-A139 HydrophobicContact CG2-CB 4.17Å
122Y97.1Very high96.7Very high184 Ų18449.2 Ų49.272%0.72227%0.271SS*.Hα-helixtrans-65.7-51.8179.3178.8-98.8000112.7V118 T119 C120 F124 R125V118-Y122 PolarHBondContact O-N 2.84Å; T119-Y122 PolarHBondContact O-N 2.73Å; C120-Y122 VanDerWaalsContact C-N 3.27Å; C120-Y122 PolarHBondContact O-N 2.91Å; Y122-F124 PolarHBondContact O-N 2.92Å; Y122-R125 WeakPolarHBondContact O-CB 2.91Å; Y122-R125 PolarHBondContact O-N 2.81Å
123L95.6Very high96.7Very high42 Ų4251.4 Ų51.422%0.2228%0.275CS..Hα-helixtrans-65.6-38-177.8-69.3178.1000112.3V82 T119 C120 R125 S126V82-L123 HydrophobicContact CB-CD1 4.07Å; V82-L123 HydrophobicContact CG1-CD1 4.11Å; V82-L123 HydrophobicContact CG2-CD1 3.9Å; T119-L123 HydrophobicContact CG2-CD1 3.85Å; T119-L123 HydrophobicContact CG2-CG 4.17Å; T119-L123 WeakPolarHBondContact O-CB 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.28Å; T119-L123 PolarHBondContact O-N 2.59Å; C120-L123 PolarHBondContact O-N 3.07Å; L123-R125 VanDerWaalsContact C-N 3.27Å; L123-R125 PolarHBondContact O-N 3.49Å; L123-S126 PolarHBondContact O-OG 3.41Å
124F96.3Very high96.7Very high0 Ų053.7 Ų53.70%029%0.287CS..Hα-helixtrans-73.7-24-177.5-67.75.2000111.4A63 V67 P79 Y83 C120 Y122 S126 I127 N128 A131 M135A63-F124 HydrophobicContact CB-CD2 4.27Å; A63-F124 HydrophobicContact CB-CE2 4.11Å; V67-F124 HydrophobicContact CB-CE1 4.41Å; V67-F124 HydrophobicContact CB-CZ 4.5Å; V67-F124 HydrophobicContact CG1-CD1 4.28Å; V67-F124 HydrophobicContact CG1-CE1 4.11Å; V67-F124 HydrophobicContact CG2-CB 3.95Å; V67-F124 HydrophobicContact CG2-CD1 3.54Å; V67-F124 HydrophobicContact CG2-CD2 3.56Å; V67-F124 HydrophobicContact CG2-CE1 3.81Å; V67-F124 HydrophobicContact CG2-CE2 3.82Å; V67-F124 HydrophobicContact CG2-CG 3.41Å; V67-F124 VanDerWaalsContact CG2-CG 3.41Å; V67-F124 HydrophobicContact CG2-CZ 3.93Å; P79-F124 HydrophobicContact CB-CD1 4.16Å; P79-F124 HydrophobicContact CB-CE1 3.87Å; Y83-F124 HydrophobicContact CD2-CZ 4.32Å; Y83-F124 HydrophobicContact CG-CZ 4.41Å; C120-F124 HydrophobicContact CB-CE1 4.4Å; C120-F124 HydrophobicContact CB-CE2 4.3Å; C120-F124 HydrophobicContact CB-CZ 4.24Å; C120-F124 WeakPolarHBondContact O-CB 3.5Å; C120-F124 WeakPolarHBondContact O-CD1 3.3Å; C120-F124 WeakPolarHBondContact O-CG 3.47Å; C120-F124 PolarHBondContact O-N 3.12Å; Y122-F124 PolarHBondContact O-N 2.92Å; F124-S126 VanDerWaalsContact C-N 3.33Å; F124-S126 PolarHBondContact O-N 3.22Å; F124-I127 PolarHBondContact O-N 2.71Å; F124-I127 VanDerWaalsContact O-N 3.09Å; F124-N128 CarbonylContact O-C 3.57Å; F124-N128 PolarHBondContact O-N 3.13Å; F124-A131 HydrophobicContact CB-CB 4.32Å; F124-A131 HydrophobicContact CD2-CB 4.21Å; F124-M135 HydrophobicContact CD2-CG 3.81Å; F124-M135 HydrophobicContact CE2-CG 3.95Å; F124-M135 HydrophobicContact CE2-SD 4.44Å
125R95.9Very high96.6Very high169 Ų16951.8 Ų51.864%0.63828%0.277SS*.Hα-helixtrans-62.3-37-176.3-168.4169.6-172.1-89.1-1.2113.4V121 Y122 L123 I127 I129V121-R125 WeakPolarHBondContact O-CB 3.45Å; V121-R125 PolarHBondContact O-N 3.31Å; Y122-R125 WeakPolarHBondContact O-CB 2.91Å; Y122-R125 PolarHBondContact O-N 2.81Å; L123-R125 VanDerWaalsContact C-N 3.27Å; L123-R125 PolarHBondContact O-N 3.49Å; R125-I127 VanDerWaalsContact C-N 3.27Å; R125-I129 HydrophobicContact CG-CD1 4.02Å
126S93.3Very high96.6Very high109 Ų10953.2 Ų53.276%0.76228%0.275SS*.THydrogen-bonded Turntrans-77-13.8178.258.20000113.5L123 F124L123-S126 PolarHBondContact O-OG 3.41Å; F124-S126 VanDerWaalsContact C-N 3.33Å; F124-S126 PolarHBondContact O-N 3.22Å
127I94.1Very high96.7Very high43 Ų4355.5 Ų55.522%0.22129%0.287CS..THydrogen-bonded Turntrans-100-56.9-177.5-62.9165.8000109.8V67 D70 T71 P79 F124 R125V67-I127 HydrophobicContact CG1-CD1 4.07Å; V67-I127 HydrophobicContact CG1-CG2 4.45Å; D70-I127 HydrophobicContact CB-CG2 4.38Å; T71-I127 HydrophobicContact CG2-CD1 4.41Å; T71-I127 WeakPolarHBondContact OG1-CG2 3.47Å; P79-I127 HydrophobicContact CB-CD1 3.97Å; P79-I127 HydrophobicContact CG-CD1 3.49Å; P79-I127 VanDerWaalsContact CG-CD1 3.49Å; F124-I127 PolarHBondContact O-N 2.71Å; F124-I127 VanDerWaalsContact O-N 3.09Å; R125-I127 VanDerWaalsContact C-N 3.27Å
128N93.7Very high96.7Very high14 Ų1455.5 Ų55.58%0.07529%0.287CS..  trans-149.3116.2-178.8-178.8-50.8000110.1D70 F124 N130 A131 S132D70-N128 PolarHBondContact OD2-ND2 3.36Å; F124-N128 CarbonylContact O-C 3.57Å; F124-N128 PolarHBondContact O-N 3.13Å; N128-N130 VanDerWaalsContact C-N 3.3Å; N128-N130 PolarHBondContact O-N 3.36Å; N128-N130 VanDerWaalsContact OD1-CA 3.27Å; N128-N130 WeakPolarHBondContact OD1-CA 3.46Å; N128-N130 WeakPolarHBondContact OD1-CB 3.36Å; N128-N130 PolarHBondContact OD1-N 2.98Å; N128-A131 HydrophobicContact CB-CB 3.92Å; N128-A131 WeakPolarHBondContact O-CB 3.34Å; N128-A131 PolarHBondContact O-N 3.29Å; N128-A131 PolarHBondContact OD1-N 3.05Å; N128-S132 PolarHBondContact O-N 3.23Å; N128-S132 VanDerWaalsContact O-N 3.07Å
129I96.4Very high96.6Very high79 Ų7952.4 Ų52.441%0.40527%0.27SS..Hα-helixtrans-62-34.9-179.7-170.859.8000113.1R125 S132 N133R125-I129 HydrophobicContact CG-CD1 4.02Å; I129-S132 PolarHBondContact O-N 2.81Å; I129-N133 WeakPolarHBondContact O-CB 3.28Å; I129-N133 PolarHBondContact O-N 3.27Å; I129-N133 PolarHBondContact O-ND2 3.43Å
130N96.7Very high96.7Very high97 Ų9755 Ų5552%0.51928%0.281SS..Hα-helixtrans-68.3-39.6177-60.6-33.4000111L66 N128 N133 L134L66-N130 HydrophobicContact CD1-CB 4.11Å; N128-N130 VanDerWaalsContact C-N 3.3Å; N128-N130 PolarHBondContact O-N 3.36Å; N128-N130 VanDerWaalsContact OD1-CA 3.27Å; N128-N130 WeakPolarHBondContact OD1-CA 3.46Å; N128-N130 WeakPolarHBondContact OD1-CB 3.36Å; N128-N130 PolarHBondContact OD1-N 2.98Å; N130-N133 PolarHBondContact O-N 2.84Å; N130-L134 VanDerWaalsContact O-CG 3.27Å; N130-L134 WeakPolarHBondContact O-CG 3.46Å; N130-L134 PolarHBondContact O-N 3.27Å
131A96.2Very high96.7Very high0 Ų056.7 Ų56.70%029%0.288CS..Hα-helixtrans-62.5-43174.500000111.7A63 L66 V67 F124 N128 L134 M135A63-A131 HydrophobicContact CB-CB 4.24Å; A63-A131 WeakPolarHBondContact CB-O 3.47Å; L66-A131 HydrophobicContact CB-CB 3.85Å; L66-A131 HydrophobicContact CD1-CB 4.22Å; V67-A131 HydrophobicContact CG2-CB 3.79Å; F124-A131 HydrophobicContact CB-CB 4.32Å; F124-A131 HydrophobicContact CD2-CB 4.21Å; N128-A131 HydrophobicContact CB-CB 3.92Å; N128-A131 WeakPolarHBondContact O-CB 3.34Å; N128-A131 PolarHBondContact O-N 3.29Å; N128-A131 PolarHBondContact OD1-N 3.05Å; A131-L134 PolarHBondContact O-N 2.9Å; A131-M135 PolarHBondContact O-N 3.12Å
132S97.1Very high96.7Very high3 Ų355.3 Ų55.32%0.02128%0.279CS..Hα-helixtrans-60.8-47.5173.7-175.30000111.4V121 N128 I129 L134 M135 I136V121-S132 PolarHBondContact O-OG 3.35Å; N128-S132 PolarHBondContact O-N 3.23Å; N128-S132 VanDerWaalsContact O-N 3.07Å; I129-S132 PolarHBondContact O-N 2.81Å; S132-L134 VanDerWaalsContact C-N 3.3Å; S132-L134 PolarHBondContact O-N 3.23Å; S132-M135 WeakPolarHBondContact O-CB 3.46Å; S132-M135 PolarHBondContact O-N 2.96Å; S132-I136 PolarHBondContact O-N 3.45Å
133N97.8Very high96.7Very high78 Ų7848.3 Ų48.342%0.41726%0.259SS..Hα-helixtrans-61.1-36.8178.8-71.4-15.9000112.7I129 N130 M135 I136 P137I129-N133 WeakPolarHBondContact O-CB 3.28Å; I129-N133 PolarHBondContact O-N 3.27Å; I129-N133 PolarHBondContact O-ND2 3.43Å; N130-N133 PolarHBondContact O-N 2.84Å; N133-M135 PolarHBondContact O-N 3.23Å; N133-I136 WeakPolarHBondContact O-CB 3.44Å; N133-I136 PolarHBondContact O-N 2.87Å; N133-P137 WeakPolarHBondContact O-CD 3.17Å
134L97.4Very high96.8Very high50 Ų5049.8 Ų49.826%0.26226%0.264SS..Hα-helixtrans-65.6-26.7175.1-74.1169.9000113C59 A62 A63 L66 N130 A131 S132C59-L134 HydrophobicContact CB-CB 4.36Å; C59-L134 HydrophobicContact CB-CD2 4.25Å; A62-L134 HydrophobicContact CB-CD1 3.95Å; A63-L134 HydrophobicContact CB-CB 3.98Å; A63-L134 HydrophobicContact CB-CD1 4.41Å; L66-L134 HydrophobicContact CD1-CD1 3.96Å; N130-L134 VanDerWaalsContact O-CG 3.27Å; N130-L134 WeakPolarHBondContact O-CG 3.46Å; N130-L134 PolarHBondContact O-N 3.27Å; A131-L134 PolarHBondContact O-N 2.9Å; S132-L134 VanDerWaalsContact C-N 3.3Å; S132-L134 PolarHBondContact O-N 3.23Å
135M97.8Very high96.8Very high0 Ų050.2 Ų50.20%027%0.268CS..Hα-helixtrans-82.9-15.7175.6-68.1-63.6-76.500113.2M60 A63 Y83 C120 V121 F124 A131 S132 N133 Y138 A139M60-M135 HydrophobicContact CB-SD 4.33Å; M60-M135 HydrophobicContact CG-CE 4.44Å; M60-M135 HydrophobicContact CG-SD 3.87Å; A63-M135 HydrophobicContact CB-CG 3.87Å; A63-M135 HydrophobicContact CB-SD 4.07Å; Y83-M135 HydrophobicContact CD2-CE 4.49Å; C120-M135 HydrophobicContact CB-CE 3.48Å; C120-M135 VanDerWaalsContact CB-CE 3.48Å; C120-M135 HydrophobicContact CB-CG 4.49Å; V121-M135 HydrophobicContact CG2-CB 3.58Å; F124-M135 HydrophobicContact CD2-CG 3.81Å; F124-M135 HydrophobicContact CE2-CG 3.95Å; F124-M135 HydrophobicContact CE2-SD 4.44Å; A131-M135 PolarHBondContact O-N 3.12Å; S132-M135 WeakPolarHBondContact O-CB 3.46Å; S132-M135 PolarHBondContact O-N 2.96Å; N133-M135 PolarHBondContact O-N 3.23Å; M135-Y138 HydrophobicContact CE-CD1 3.6Å; M135-Y138 HydrophobicContact CE-CE1 4.05Å; M135-Y138 WeakPolarHBondContact O-CB 3.46Å; M135-Y138 PolarHBondContact O-N 3.19Å; M135-Y138 HydrophobicContact SD-CD1 4.26Å; M135-A139 PolarHBondContact O-N 3.43Å
136I97.9Very high96.9Very high66 Ų6642.4 Ų42.434%0.33824%0.239SC..Hα-helixtrans-63-50.5-179.8-65.7173000112V121 S132 N133 Y138 A139 L140V121-I136 HydrophobicContact CG1-CG1 4.13Å; V121-I136 HydrophobicContact CG2-CG1 4.36Å; S132-I136 PolarHBondContact O-N 3.45Å; N133-I136 WeakPolarHBondContact O-CB 3.44Å; N133-I136 PolarHBondContact O-N 2.87Å; I136-Y138 PolarHBondContact O-N 2.95Å; I136-A139 PolarHBondContact O-N 3.02Å; I136-A139 VanDerWaalsContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 3.96Å; I136-L140 HydrophobicContact CG2-CG 4.28Å; I136-L140 WeakPolarHBondContact O-CG 3.32Å; I136-L140 PolarHBondContact O-N 3.43Å
137P97.9Very high97.1Very high62 Ų6240.9 Ų40.940%0.40323%0.225SC..Hα-helixtrans-54.9-35.6175.1-26.834.5000112.8L56 N133 W141L56-P137 HydrophobicContact CD2-CB 3.97Å; N133-P137 WeakPolarHBondContact O-CD 3.17Å; P137-W141 WeakPolarHBondContact O-CB 3.33Å; P137-W141 PolarHBondContact O-N 2.99Å
138Y97.8Very high97.2Very high0 Ų039.2 Ų39.20%022%0.216CC..Hα-helixtrans-68.2-46.6176.9177.2-130.1000112.7W53 L56 M60 Q86 N90 I113 A117 M135 I136 L140 W141 T142W53-Y138 AromaticContact CH2-CE2 3.94Å; W53-Y138 HydrophobicContact CH2-CE2 3.94Å; W53-Y138 HydrophobicContact CZ3-CD2 4.23Å; W53-Y138 AromaticContact CZ3-CE2 3.57Å; W53-Y138 HydrophobicContact CZ3-CE2 3.57Å; L56-Y138 HydrophobicContact CB-CD2 4.41Å; L56-Y138 HydrophobicContact CD1-CD2 4.21Å; M60-Y138 HydrophobicContact CE-CD1 4.34Å; M60-Y138 HydrophobicContact CE-CE1 3.75Å; M60-Y138 HydrophobicContact CG-CD1 3.94Å; M60-Y138 HydrophobicContact CG-CE1 4.3Å; M60-Y138 HydrophobicContact CG-CG 4.06Å; M60-Y138 HydrophobicContact SD-CD1 3.87Å; M60-Y138 HydrophobicContact SD-CD2 3.9Å; M60-Y138 HydrophobicContact SD-CE1 3.74Å; M60-Y138 HydrophobicContact SD-CE2 3.81Å; M60-Y138 HydrophobicContact SD-CG 3.92Å; Q86-Y138 PolarHBondContact NE2-OH 3.01Å; N90-Y138 PolarHBondContact ND2-OH 3.48Å; N90-Y138 VanDerWaalsContact ND2-OH 3.14Å; I113-Y138 HydrophobicContact CG2-CE2 4.48Å; I113-Y138 WeakPolarHBondContact CG2-OH 3.28Å; A117-Y138 HydrophobicContact CB-CD1 3.67Å; A117-Y138 HydrophobicContact CB-CE1 3.58Å; M135-Y138 HydrophobicContact CE-CD1 3.6Å; M135-Y138 HydrophobicContact CE-CE1 4.05Å; M135-Y138 WeakPolarHBondContact O-CB 3.46Å; M135-Y138 PolarHBondContact O-N 3.19Å; M135-Y138 HydrophobicContact SD-CD1 4.26Å; I136-Y138 PolarHBondContact O-N 2.95Å; Y138-L140 VanDerWaalsContact C-N 3.32Å; Y138-L140 PolarHBondContact O-N 3.23Å; Y138-W141 PolarHBondContact O-N 3.06Å; Y138-T142 HydrophobicContact CD2-CG2 3.66Å; Y138-T142 HydrophobicContact CE1-CG2 4.49Å; Y138-T142 HydrophobicContact CE2-CG2 3.18Å; Y138-T142 HydrophobicContact CG-CG2 4.47Å; Y138-T142 WeakPolarHBondContact O-CB 3.35Å; Y138-T142 VanDerWaalsContact O-CG2 3.28Å; Y138-T142 WeakPolarHBondContact O-CG2 3.2Å; Y138-T142 PolarHBondContact O-N 3.34Å; Y138-T142 PolarHBondContact O-OG1 3.27Å
139A98Very high97.3Very high14 Ų1438.9 Ų38.912%0.11622%0.215CC..Hα-helixtrans-60-41.5174.800000111.9L114 A117 V118 V121 M135 I136 T142 A143L114-A139 WeakPolarHBondContact CD1-O 3.14Å; A117-A139 HydrophobicContact CB-CB 4.24Å; V118-A139 HydrophobicContact CG2-CB 4.33Å; V121-A139 HydrophobicContact CG2-CB 4.17Å; M135-A139 PolarHBondContact O-N 3.43Å; I136-A139 PolarHBondContact O-N 3.02Å; I136-A139 VanDerWaalsContact O-N 3.14Å; A139-T142 WeakPolarHBondContact CA-OG1 3.19Å; A139-T142 PolarHBondContact O-OG1 3.03Å; A139-A143 WeakPolarHBondContact O-CB 3.47Å; A139-A143 PolarHBondContact O-N 3.26Å
140L98.1Very high97.3Very high117 Ų11737.2 Ų37.261%0.61321%0.208SC*.Hα-helixtrans-64.6-45.1176.9-68.5174.5000112.2I136 Y138 A143 F144I136-L140 HydrophobicContact CG2-CD1 3.96Å; I136-L140 HydrophobicContact CG2-CG 4.28Å; I136-L140 WeakPolarHBondContact O-CG 3.32Å; I136-L140 PolarHBondContact O-N 3.43Å; Y138-L140 VanDerWaalsContact C-N 3.32Å; Y138-L140 PolarHBondContact O-N 3.23Å; L140-A143 WeakPolarHBondContact O-CB 3.28Å; L140-A143 PolarHBondContact O-N 3.05Å; L140-F144 PolarHBondContact O-N 2.77Å; L140-F144 VanDerWaalsContact O-N 3.08Å
141W97.9Very high97.3Very high35 Ų3538 Ų3813%0.13320%0.204CC..Hα-helixtrans-65.5-42.6178.1-178.7-107.7000112.4P44 V48 F49 V52 W53 L56 P137 Y138 A143 F144 A145P44-W141 HydrophobicContact CG-CH2 4.25Å; V48-W141 HydrophobicContact CG1-CH2 4.3Å; F49-W141 AromaticContact CD1-CZ2 3.9Å; F49-W141 HydrophobicContact CD1-CZ2 3.9Å; F49-W141 HydrophobicContact CE1-CZ2 4.17Å; V52-W141 HydrophobicContact CB-CH2 4.27Å; V52-W141 HydrophobicContact CB-CZ2 4.1Å; V52-W141 HydrophobicContact CG1-CD2 3.44Å; V52-W141 VanDerWaalsContact CG1-CD2 3.44Å; V52-W141 VanDerWaalsContact CG1-CE2 3.44Å; V52-W141 HydrophobicContact CG1-CE3 3.74Å; V52-W141 HydrophobicContact CG1-CG 3.89Å; V52-W141 HydrophobicContact CG1-CH2 4.03Å; V52-W141 HydrophobicContact CG1-CZ2 3.76Å; V52-W141 HydrophobicContact CG1-CZ3 4.02Å; V52-W141 HydrophobicContact CG2-CH2 4.17Å; V52-W141 HydrophobicContact CG2-CZ2 4.49Å; V52-W141 HydrophobicContact CG2-CZ3 4.32Å; W53-W141 AromaticContact CE2-CD1 3.93Å; W53-W141 AromaticContact CE2-NE1 3.42Å; W53-W141 AromaticContact CZ2-CD1 3.77Å; W53-W141 AromaticContact CZ2-NE1 3.59Å; W53-W141 AromaticContact NE1-NE1 3.53Å; L56-W141 HydrophobicContact CD1-CB 3.64Å; L56-W141 HydrophobicContact CD1-CD2 4.45Å; L56-W141 HydrophobicContact CD1-CG 3.52Å; P137-W141 WeakPolarHBondContact O-CB 3.33Å; P137-W141 PolarHBondContact O-N 2.99Å; Y138-W141 PolarHBondContact O-N 3.06Å; W141-A143 VanDerWaalsContact C-N 3.28Å; W141-A143 PolarHBondContact O-N 2.66Å; W141-F144 HydrophobicContact CE3-CD1 4.13Å; W141-F144 HydrophobicContact CH2-CD1 4.42Å; W141-F144 AromaticContact CZ3-CD1 3.91Å; W141-F144 HydrophobicContact CZ3-CD1 3.91Å; W141-F144 HydrophobicContact CZ3-CE1 4.22Å; W141-F144 PolarHBondContact O-N 3.33Å; W141-A145 WeakPolarHBondContact O-CB 3.37Å; W141-A145 PolarHBondContact O-N 3.46Å
142T97.4Very high97.3Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-66.5-30.7177.552.90000112.3W53 N110 I113 Y138 A139 S146W53-T142 HydrophobicContact CH2-CG2 4.22Å; N110-T142 PolarHBondContact ND2-O 3.41Å; N110-T142 VanDerWaalsContact ND2-O 3.13Å; I113-T142 HydrophobicContact CG2-CG2 3.54Å; Y138-T142 HydrophobicContact CD2-CG2 3.66Å; Y138-T142 HydrophobicContact CE1-CG2 4.49Å; Y138-T142 HydrophobicContact CE2-CG2 3.18Å; Y138-T142 HydrophobicContact CG-CG2 4.47Å; Y138-T142 WeakPolarHBondContact O-CB 3.35Å; Y138-T142 VanDerWaalsContact O-CG2 3.28Å; Y138-T142 WeakPolarHBondContact O-CG2 3.2Å; Y138-T142 PolarHBondContact O-N 3.34Å; Y138-T142 PolarHBondContact O-OG1 3.27Å; A139-T142 WeakPolarHBondContact CA-OG1 3.19Å; A139-T142 PolarHBondContact O-OG1 3.03Å; T142-S146 WeakPolarHBondContact O-CB 3.36Å; T142-S146 PolarHBondContact O-N 3.39Å; T142-S146 PolarHBondContact O-OG 3.49Å
143A98.1Very high97.3Very high37 Ų3738.5 Ų38.531%0.30621%0.208SC..Hα-helixtrans-63.8-49.6170.300000111.1L114 A139 L140 W141 A145 S146 V147L114-A143 HydrophobicContact CD1-CB 3.82Å; L114-A143 HydrophobicContact CD2-CB 4.21Å; A139-A143 WeakPolarHBondContact O-CB 3.47Å; A139-A143 PolarHBondContact O-N 3.26Å; L140-A143 WeakPolarHBondContact O-CB 3.28Å; L140-A143 PolarHBondContact O-N 3.05Å; W141-A143 VanDerWaalsContact C-N 3.28Å; W141-A143 PolarHBondContact O-N 2.66Å; A143-A145 PolarHBondContact O-N 2.98Å; A143-S146 WeakPolarHBondContact O-CB 3.41Å; A143-S146 PolarHBondContact O-N 3.4Å; A143-S146 VanDerWaalsContact O-N 3.12Å; A143-V147 PolarHBondContact O-N 3.26Å; A143-V147 VanDerWaalsContact O-N 3.08Å
144F97.5Very high97.1Very high73 Ų7340 Ų4032%0.3221%0.214SC..Hα-helixtrans-60.7-45.8176.3-179.2-115.8000112.6F42 P44 L140 W141 S146 V147 I148F42-F144 AromaticContact CD2-CE2 3.93Å; F42-F144 HydrophobicContact CD2-CE2 3.93Å; F42-F144 HydrophobicContact CD2-CZ 4.25Å; F42-F144 HydrophobicContact CE2-CE2 4.36Å; P44-F144 HydrophobicContact CG-CE1 4.1Å; L140-F144 PolarHBondContact O-N 2.77Å; L140-F144 VanDerWaalsContact O-N 3.08Å; W141-F144 HydrophobicContact CE3-CD1 4.13Å; W141-F144 HydrophobicContact CH2-CD1 4.42Å; W141-F144 AromaticContact CZ3-CD1 3.91Å; W141-F144 HydrophobicContact CZ3-CD1 3.91Å; W141-F144 HydrophobicContact CZ3-CE1 4.22Å; W141-F144 PolarHBondContact O-N 3.33Å; F144-S146 PolarHBondContact O-N 2.89Å; F144-V147 WeakPolarHBondContact O-CB 3.5Å; F144-V147 PolarHBondContact O-N 3.04Å; F144-I148 HydrophobicContact CD1-CD1 3.93Å; F144-I148 HydrophobicContact CE1-CD1 3.46Å; F144-I148 VanDerWaalsContact CE1-CD1 3.46Å; F144-I148 HydrophobicContact CE2-CD1 4.29Å; F144-I148 HydrophobicContact CZ-CD1 3.66Å; F144-I148 HydrophobicContact CZ-CG1 4.39Å; F144-I148 PolarHBondContact O-N 3.04Å
145A96.5Very high97Very high9 Ų940.4 Ų40.47%0.07422%0.216CC..Hα-helixtrans-62.1-30.8175.300000112.3W141 A143 I148 S149W141-A145 WeakPolarHBondContact O-CB 3.37Å; W141-A145 PolarHBondContact O-N 3.46Å; A143-A145 PolarHBondContact O-N 2.98Å; A145-I148 PolarHBondContact O-N 3.49Å; A145-S149 VanDerWaalsContact O-CB 3.28Å; A145-S149 WeakPolarHBondContact O-CB 3.3Å; A145-S149 PolarHBondContact O-N 3.21Å; A145-S149 PolarHBondContact O-OG 3.08Å
146S97.1Very high96.9Very high4 Ų441.8 Ų41.83%0.02822%0.224CC..Hα-helixtrans-69.1-44.4176.7-64.60000110.3N110 T142 A143 F144 I148 S149 V150N110-S146 WeakPolarHBondContact ND2-CA 3.39Å; N110-S146 PolarHBondContact ND2-N 2.83Å; N110-S146 PolarHBondContact ND2-OG 3.46Å; N110-S146 PolarHBondContact O-OG 2.93Å; T142-S146 WeakPolarHBondContact O-CB 3.36Å; T142-S146 PolarHBondContact O-N 3.39Å; T142-S146 PolarHBondContact O-OG 3.49Å; A143-S146 WeakPolarHBondContact O-CB 3.41Å; A143-S146 PolarHBondContact O-N 3.4Å; A143-S146 VanDerWaalsContact O-N 3.12Å; F144-S146 PolarHBondContact O-N 2.89Å; S146-I148 VanDerWaalsContact C-N 3.34Å; S146-I148 PolarHBondContact O-N 3.36Å; S146-S149 PolarHBondContact O-N 3Å; S146-V150 WeakPolarHBondContact O-CB 3.44Å; S146-V150 VanDerWaalsContact O-CG2 3.28Å; S146-V150 WeakPolarHBondContact O-CG2 3.18Å; S146-V150 PolarHBondContact O-N 2.92Å
147V97.6Very high96.2Very high77 Ų7742 Ų4247%0.46723%0.226SC..Hα-helixtrans-57.8-48.8174.5175.90000110.2F42 A143 F144 S149 R151F42-V147 HydrophobicContact CE2-CG1 4Å; F42-V147 HydrophobicContact CZ-CG1 3.8Å; A143-V147 PolarHBondContact O-N 3.26Å; A143-V147 VanDerWaalsContact O-N 3.08Å; F144-V147 WeakPolarHBondContact O-CB 3.5Å; F144-V147 PolarHBondContact O-N 3.04Å; V147-S149 PolarHBondContact O-N 3.15Å; V147-R151 HydrophobicContact CG1-CG 4.45Å; V147-R151 WeakPolarHBondContact O-CB 3.28Å; V147-R151 WeakPolarHBondContact O-CG 3.4Å; V147-R151 PolarHBondContact O-N 2.81Å
148I96.7Very high94.7Very high9 Ų947.3 Ų47.35%0.04625%0.245CC..Hα-helixtrans-59.6-50.1176.5-66.5169.9000110.8P40 F42 P44 F144 A145 S146 V150 R151 V152P40-I148 HydrophobicContact CG-CG2 4.45Å; F42-I148 HydrophobicContact CD2-CG1 4.21Å; F42-I148 HydrophobicContact CE2-CG1 3.72Å; P44-I148 HydrophobicContact CG-CD1 4.48Å; F144-I148 HydrophobicContact CD1-CD1 3.93Å; F144-I148 HydrophobicContact CE1-CD1 3.46Å; F144-I148 VanDerWaalsContact CE1-CD1 3.46Å; F144-I148 HydrophobicContact CE2-CD1 4.29Å; F144-I148 HydrophobicContact CZ-CD1 3.66Å; F144-I148 HydrophobicContact CZ-CG1 4.39Å; F144-I148 PolarHBondContact O-N 3.04Å; A145-I148 PolarHBondContact O-N 3.49Å; S146-I148 VanDerWaalsContact C-N 3.34Å; S146-I148 PolarHBondContact O-N 3.36Å; I148-V150 VanDerWaalsContact C-N 3.35Å; I148-V150 PolarHBondContact O-N 2.95Å; I148-R151 PolarHBondContact O-N 3.47Å; I148-R151 VanDerWaalsContact O-N 3.15Å; I148-V152 HydrophobicContact CG2-CG2 4.08Å; I148-V152 VanDerWaalsContact O-CG2 3.3Å; I148-V152 WeakPolarHBondContact O-CG2 3.45Å; I148-V152 PolarHBondContact O-N 3.23Å
149S96.1Very high92.2Very high7 Ų757.5 Ų57.55%0.04930%0.299CS..Hα-helixtrans-62-42.3-175.1-59.50000112A145 S146 V147 V152 A153A145-S149 VanDerWaalsContact O-CB 3.28Å; A145-S149 WeakPolarHBondContact O-CB 3.3Å; A145-S149 PolarHBondContact O-N 3.21Å; A145-S149 PolarHBondContact O-OG 3.08Å; S146-S149 PolarHBondContact O-N 3Å; V147-S149 PolarHBondContact O-N 3.15Å; S149-V152 PolarHBondContact O-N 3.13Å; S149-A153 WeakPolarHBondContact O-CB 3.44Å; S149-A153 PolarHBondContact O-N 3.44Å
150V96.7Very high91.9Very high43 Ų4359.7 Ų59.726%0.26131%0.308SS..Hα-helixtrans-64.8-43.4175171.10000110.8A107 L111 S146 I148 A153 M154A107-V150 HydrophobicContact CB-CG2 4.24Å; L111-V150 HydrophobicContact CD1-CG2 4.27Å; S146-V150 WeakPolarHBondContact O-CB 3.44Å; S146-V150 VanDerWaalsContact O-CG2 3.28Å; S146-V150 WeakPolarHBondContact O-CG2 3.18Å; S146-V150 PolarHBondContact O-N 2.92Å; I148-V150 VanDerWaalsContact C-N 3.35Å; I148-V150 PolarHBondContact O-N 2.95Å; V150-A153 WeakPolarHBondContact O-CB 3.46Å; V150-A153 PolarHBondContact O-N 3.31Å; V150-M154 HydrophobicContact CG1-CE 3.64Å; V150-M154 HydrophobicContact CG1-SD 4.08Å; V150-M154 WeakPolarHBondContact O-CG 2.73Å; V150-M154 PolarHBondContact O-N 2.95Å
151R96.7Very high91.6Very high113 Ų11356.6 Ų56.643%0.42629%0.292SS..Hα-helixtrans-65.6-39.4177.6-68.7-60.1-64.7174-4.5112.4P40 F42 V147 I148 A153 M154 L155P40-R151 HydrophobicContact CB-CB 4.23Å; P40-R151 HydrophobicContact CG-CB 3.9Å; F42-R151 HydrophobicContact CZ-CG 4.22Å; V147-R151 HydrophobicContact CG1-CG 4.45Å; V147-R151 WeakPolarHBondContact O-CB 3.28Å; V147-R151 WeakPolarHBondContact O-CG 3.4Å; V147-R151 PolarHBondContact O-N 2.81Å; I148-R151 PolarHBondContact O-N 3.47Å; I148-R151 VanDerWaalsContact O-N 3.15Å; R151-A153 VanDerWaalsContact C-N 3.34Å; R151-M154 PolarHBondContact O-N 2.77Å; R151-L155 WeakPolarHBondContact O-CB 3.38Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 3.2Å
152V96.3Very high91.2Very high1 Ų157.8 Ų57.81%0.00630%0.301CS..Hα-helixtrans-63.3-42.2173.1175.50000110.1L37 K39 F97 I103 I148 S149 M154 L155 N156L37-V152 HydrophobicContact CD1-CG1 4.17Å; K39-V152 HydrophobicContact CG-CG2 4.25Å; F97-V152 HydrophobicContact CZ-CG1 4.38Å; I103-V152 HydrophobicContact CG2-CB 4.43Å; I103-V152 HydrophobicContact CG2-CG1 3.8Å; I148-V152 HydrophobicContact CG2-CG2 4.08Å; I148-V152 VanDerWaalsContact O-CG2 3.3Å; I148-V152 WeakPolarHBondContact O-CG2 3.45Å; I148-V152 PolarHBondContact O-N 3.23Å; S149-V152 PolarHBondContact O-N 3.13Å; V152-M154 PolarHBondContact O-N 3.5Å; V152-L155 PolarHBondContact O-N 3.24Å; V152-N156 PolarHBondContact O-N 3.35Å; V152-N156 PolarHBondContact O-ND2 3.33Å
153A95.5Very high90.9Very high13 Ų1361.2 Ų61.211%0.10732%0.319CS..Hα-helixtrans-59.4-44.1174.900000112.4I103 K104 A107 S149 V150 R151 D157I103-A153 HydrophobicContact CG2-CB 3.92Å; K104-A153 HydrophobicContact CG-CB 4.29Å; A107-A153 HydrophobicContact CB-CB 4.28Å; S149-A153 WeakPolarHBondContact O-CB 3.44Å; S149-A153 PolarHBondContact O-N 3.44Å; V150-A153 WeakPolarHBondContact O-CB 3.46Å; V150-A153 PolarHBondContact O-N 3.31Å; R151-A153 VanDerWaalsContact C-N 3.34Å; A153-D157 PolarHBondContact O-N 3.45Å
154M95.2Very high90.4Very high110 Ų11062.8 Ų62.854%0.54232%0.319SS..Hα-helixtrans-66.9-36.7177.4-69.5171.3172.400113.1V150 R151 V152 N156V150-M154 HydrophobicContact CG1-CE 3.64Å; V150-M154 HydrophobicContact CG1-SD 4.08Å; V150-M154 WeakPolarHBondContact O-CG 2.73Å; V150-M154 PolarHBondContact O-N 2.95Å; R151-M154 PolarHBondContact O-N 2.77Å; V152-M154 PolarHBondContact O-N 3.5Å; M154-N156 VanDerWaalsContact C-N 3.32Å; M154-N156 PolarHBondContact O-N 2.93Å
155L95.3Very high89.9Confident59 Ų5962.1 Ų62.131%0.30932%0.319SS..Hα-helixtrans-76.8-17.8-176.9-72.4170.1000113.7R38 R151 V152R38-L155 HydrophobicContact CB-CB 3.87Å; R151-L155 WeakPolarHBondContact O-CB 3.38Å; R151-L155 WeakPolarHBondContact O-CG 3.35Å; R151-L155 PolarHBondContact O-N 3.2Å; V152-L155 PolarHBondContact O-N 3.24Å
156N94.9Very high89.5Confident29 Ų2965.9 Ų65.916%0.15534%0.337CS..THydrogen-bonded Turntrans-122.729.5-178-53.8-91.3000110.7R38 I103 V152 M154 H158R38-N156 PolarHBondContact N-OD1 2.57Å; R38-N156 PolarHBondContact O-ND2 3.44Å; I103-N156 HydrophobicContact CD1-CB 3.94Å; V152-N156 PolarHBondContact O-N 3.35Å; V152-N156 PolarHBondContact O-ND2 3.33Å; M154-N156 VanDerWaalsContact C-N 3.32Å; M154-N156 PolarHBondContact O-N 2.93Å; N156-H158 PolarHBondContact O-N 3.39Å
157D82.6Confident88.9Confident71 Ų7170.6 Ų70.638%0.3836%0.361SS..THydrogen-bonded Turntrans-81.13.8-178.3-16016.2000113.9K104 A153K104-D157 WeakPolarHBondContact CE-OD1 3.39Å; K104-D157 IonicContact NZ-OD1 2.57Å; K104-D157 PolarHBondContact NZ-OD1 3.36Å; K104-D157 IonicContact NZ-OD2 3.74Å; A153-D157 PolarHBondContact O-N 3.45Å
158H66.1Low88.2Confident173 Ų17370.1 Ų70.180%0.80135%0.352SS*.THydrogen-bonded Turntrans-118.126-168.5-70-54.1000114.5N156N156-H158 PolarHBondContact O-N 3.39Å
159D45.8Very low87.4Confident213 Ų21375.6 Ų75.6100%1.13938%0.38SS*.  trans-120.30165.2-58.4-38.6000109.8

Retrieved 159 of 159 residues in 50.9 ms (Link to these results)

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